Molecule

ID:39991

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClN₂
Molecular Mass
182.65004
Exact Mass
182.06107604
Charge
0
InChI
InChI=1S/C9H11ClN2/c1-12(2)11-7-8-3-5-9(10)6-4-8/h3-7H,1-2H3/b11-7+
InChIKey
JWRGEPOIPOSDQN-YRNVUSSQSA-N
Canonic Smiles
CN(/N=C/c1ccc(cc1)Cl)C
Isomeric Smiles
N(=C\c1ccc(Cl)cc1)/N(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.169781
LogD (pH = 7.4)
2.171724
Log P
2.1717489
Molar Refractivity
52.5973
Polarizability
19.854883
Polar Surface Area
15.6
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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