Molecule

ID:90992

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClN₂O
Molecular Mass
170.59628
Exact Mass
170.02469053
Charge
0
InChI
InChI=1S/C7H7ClN2O/c8-7(11)5-4-9-6-2-1-3-10(5)6/h4H,1-3H2
InChIKey
BXKZCOROXGEBTQ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cnc2n1CCC2
Isomeric Smiles
n1c2n(c(c1)C(=O)Cl)CCC2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.3926322
LogD (pH = 7.4)
0.53715694
Log P
0.53943324
Molar Refractivity
42.2377
Polarizability
15.626221
Polar Surface Area
34.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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