Molecule
ID:120506
General Information
Molecular Formula
C₁₅H₁₃ClN₂O
Molecular Mass
272.72952
Exact Mass
272.07164073
Charge
0
InChI
InChI=1S/C15H13ClN2O/c1-8-5-13-14(6-9(8)2)19-15(18-13)11-7-10(17)3-4-12(11)16/h3-7H,17H2,1-2H3
InChIKey
QFGHJWFMRLLGMO-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)c1oc2c(n1)cc(c(c2)C)C)Cl
Isomeric Smiles
c1(nc2c(o1)cc(c(c2)C)C)c1c(ccc(c1)N)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.14565
LogD (pH = 7.4)
4.146585
Log P
4.1465974
Molar Refractivity
87.4123
Polarizability
30.649178
Polar Surface Area
52.05
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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