Molecule

ID:86933

General Information
Structure
MolImage
Molecular Formula
C₈H₉Cl₂N
Molecular Mass
190.06976
Exact Mass
189.01120465
Charge
0
InChI
InChI=1S/C8H9Cl2N/c1-5-2-6(9)3-8(10)7(5)4-11/h2-3H,4,11H2,1H3
InChIKey
QISTWSMZJRTDCS-UHFFFAOYSA-N
Canonic Smiles
NCc1c(C)cc(cc1Cl)Cl
Isomeric Smiles
Clc1cc(cc(c1CN)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.121605724
LogD (pH = 7.4)
1.0708106
Log P
2.820525
Molar Refractivity
49.1822
Polarizability
19.200485
Polar Surface Area
26.02
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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