Molecule

ID:86922

General Information
Structure
MolImage
Molecular Formula
C₇H₇Cl₂N
Molecular Mass
176.04318
Exact Mass
174.99555459
Charge
0
InChI
InChI=1S/C7H7Cl2N/c1-10-5-2-3-6(8)7(9)4-5/h2-4,10H,1H3
InChIKey
DUSNCFKVMGTTFK-UHFFFAOYSA-N
Canonic Smiles
CNc1ccc(c(c1)Cl)Cl
Isomeric Smiles
Clc1c(ccc(c1)NC)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6408923
LogD (pH = 7.4)
2.6539443
Log P
2.6541133
Molar Refractivity
45.8614
Polarizability
17.08538
Polar Surface Area
12.03
Rotatable Bonds
1
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
References
Bioactivity
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