VALERYL CHLORIDE Next Previous

ChEMBL ID CHEMBL1607711
PubChem CID 61186
DrugBank Accession Number
ClinicalTrials VALERYL CHLORIDE
Molecular Formula C5H9ClO
Inchikey XGISHOFUAFNYQF-UHFFFAOYSA-N

Smiles
CCCCC(=O)Cl

Synonyms
Valeryl chloride, PENTANOYL CHLORIDE, 638-29-9, Valeroyl chloride, valerylchloride, n-pentanoyl chloride, XGISHOFUAFNYQF-UHFFFAOYSA-N, N-pentoyl chloride, EINECS 211-330-1, UN2502, MFCD00000757, valeroylchloride, valeroyl-chloride, n-valeryl chloride, valeroyl chloride;, n-Valeroyl chloride, VACL, 1-chloro-1-pentanone, pentanoic acid chloride, PubChem21358, ACMC-209nin, AC1L1UPO, AC1Q2VAE, SCHEMBL3163, DSSTox_CID_14091, DSSTox_RID_79113, DSSTox_GSID_34091, KSC355K0R, 157147_ALDRICH, CHEMBL1607711, DTXSID2034091, 94610_FLUKA, CTK2F5508, XGISHOFUAFNYQF-UHFFFAOYSA-, BB_SC-6859, Pentanoyl chloride;Valeryl chloride, BB_SC-06859, valeryl chloride; pentanoyl chloride, ZINC1850951, Tox21_200690, ANW-34749, BBL012216, STL163557, ZINC01850951, AKOS000121233, EBD2224395, FCH2253028, MCULE-3875407102, RP07112, TRA0044227, UN 2502, NCGC00090969-01, NCGC00090969-02, NCGC00258244-01, AN-20446, BBV-46883649, CAS-638-29-9, CJ-30558, LP101348, OR034225, SC-46867, Valeryl chloride [UN2502] [Corrosive], Valeryl chloride [UN2502] [Corrosive], KB-303238, LS-169161, TL8004503, TR-021940, FT-0656906, Y9694, A834544, I14-0289, F2190-0013, InChI=1/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3, SID17388670

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts
Passes of Rule of 3
Rule of 5 Violations 0
Molecular Species
Molecular Properties
Molecular Weight 120.58
Rotatable Bonds 3
Acidic pKa (ACD) -
Basic pKa (ACD) -
LogP (ACD) 1.77
LogD (ACD) 1.77
ALogP 1.95
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