Molecule

ID:116489

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₇ClN₂O₂
Molecular Mass
364.82488
Exact Mass
364.09785547
Charge
0
InChI
InChI=1S/C21H17ClN2O2/c1-12-7-8-13(2)18-17(12)11-14(19(22)23-18)9-10-24-20(25)15-5-3-4-6-16(15)21(24)26/h3-8,11H,9-10H2,1-2H3
InChIKey
COQMICYHWURSHP-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2c(C)ccc(c2cc1CCN1C(=O)c2c(C1=O)cccc2)C
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)CCc1c(nc2c(c1)c(ccc2C)C)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.9389434
LogD (pH = 7.4)
4.9389524
Log P
4.938953
Molar Refractivity
103.4489
Polarizability
39.466183
Polar Surface Area
50.27
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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