Molecule

ID:55085

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄Cl₂N₂O
Molecular Mass
333.21186
Exact Mass
332.04831844
Charge
0
InChI
InChI=1S/C17H13ClN2O.ClH/c1-10-6-11(2)16-13(7-10)14(17(18)21)8-15(20-16)12-4-3-5-19-9-12;/h3-9H,1-2H3;1H
InChIKey
IFFQXBXQKBOSJE-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c2c(c1)c(cc(n2)c1cccnc1)C(=O)Cl.Cl
Isomeric Smiles
n1c2c(c(cc1c1cnccc1)C(=O)Cl)cc(cc2C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.140093
LogD (pH = 7.4)
4.163747
Log P
4.164059
Molar Refractivity
83.7837
Polarizability
34.314144
Polar Surface Area
42.85
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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