Molecule
ID:83395
General Information
Molecular Formula
C₁₅H₁₄ClN₃O₂
Molecular Mass
303.74356
Exact Mass
303.07745438
Charge
0
InChI
InChI=1S/C15H14ClN3O2/c1-18(2)8-11(9-20)14-13(10-21)15(16)19(17-14)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKey
USAGZKDKGKAMOR-UHFFFAOYSA-N
Canonic Smiles
O=C/C(=C\N(C)C)/c1nn(c(c1C=O)Cl)c1ccccc1
Isomeric Smiles
n1(c2ccccc2)c(c(c(n1)/C(=C/N(C)C)/C=O)C=O)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.1264362
LogD (pH = 7.4)
2.1335883
Log P
2.1336803
Molar Refractivity
83.9022
Polarizability
31.479603
Polar Surface Area
55.2
Rotatable Bonds
5
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
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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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