Molecule

ID:61508

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClNO
Molecular Mass
157.59752
Exact Mass
157.02944156
Charge
0
InChI
InChI=1S/C7H7NO.ClH/c1-6-4-7(5-9)2-3-8-6;/h2-5H,1H3;1H
InChIKey
UDCKDGVYVHNHHP-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccnc(c1)C.Cl
Isomeric Smiles
n1c(cc(C=O)cc1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.58950114
LogD (pH = 7.4)
0.59931916
Log P
0.5994459
Molar Refractivity
35.0766
Polarizability
13.087653
Polar Surface Area
29.96
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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