Molecule

ID:67624

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClN₂
Molecular Mass
178.61828
Exact Mass
178.02977591
Charge
0
InChI
InChI=1S/C9H7ClN2/c1-6-2-3-7-8(4-6)12-9(10)5-11-7/h2-5H,1H3
InChIKey
XLTMISOVULFCFD-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)nc(cn2)Cl
Isomeric Smiles
n1c(cnc2ccc(cc12)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6367135
LogD (pH = 7.4)
2.6367216
Log P
2.6367216
Molar Refractivity
48.3577
Polarizability
19.762014
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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