Molecule

ID:67882

General Information
Structure
MolImage
Molecular Formula
C₆H₇Cl₂NO
Molecular Mass
180.03188
Exact Mass
178.99046921
Charge
0
InChI
InChI=1S/C6H6ClNO.ClH/c7-6-3-1-2-5(4-9)8-6;/h1-3,9H,4H2;1H
InChIKey
UWYPNSMTFWTAIS-UHFFFAOYSA-N
Canonic Smiles
OCc1cccc(n1)Cl.Cl
Isomeric Smiles
c1(cccc(n1)Cl)CO.Cl
Calculated Properties
JChem
Acid pKa
14.183655
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8939105
LogD (pH = 7.4)
0.8939172
Log P
0.8939174
Molar Refractivity
36.0609
Polarizability
13.846413
Polar Surface Area
33.12
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
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References
Bioactivity
Navigation
CAS 83782-89-2|(6-chloropyridin-2-yl)methanol hydrochloride|6-Chloro-2-hydroxymethylpyridine hydrochloride|(6-chloropyridin-2-yl)methanol hydrochloride | Molfinder