Molecule

ID:38078

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClNO₂
Molecular Mass
173.59692
Exact Mass
173.02435618
Charge
0
InChI
InChI=1S/C7H8ClNO2/c1-4(2)6-3-5(7(8)10)9-11-6/h3-4H,1-2H3
InChIKey
GZPWGHHYNHDGKH-UHFFFAOYSA-N
Canonic Smiles
CC(c1onc(c1)C(=O)Cl)C
Isomeric Smiles
c1(noc(c1)C(C)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0016105
LogD (pH = 7.4)
2.0016108
Log P
2.0016108
Molar Refractivity
42.388
Polarizability
15.6409645
Polar Surface Area
43.1
Rotatable Bonds
2
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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