Molecule

ID:10453

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃ClN₂O
Molecular Mass
236.69742
Exact Mass
236.07164073
Charge
0
InChI
InChI=1S/C12H12N2O.ClH/c13-14-10-6-8-12(9-7-10)15-11-4-2-1-3-5-11;/h1-9,14H,13H2;1H
InChIKey
BFNBYPAMZTYWBT-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cc1)Oc1ccccc1.Cl
Isomeric Smiles
O(c1ccc(cc1)NN)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.6528485
LogD (pH = 7.4)
2.8617404
Log P
2.8651757
Molar Refractivity
62.0055
Polarizability
23.23477
Polar Surface Area
47.28
Rotatable Bonds
3
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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