Molecule

ID:23997

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄ClN₃O
Molecular Mass
287.74416
Exact Mass
287.08253976
Charge
0
InChI
InChI=1S/C15H13N3O.ClH/c1-10-17-14-5-3-2-4-13(14)15(19)18(10)12-8-6-11(16)7-9-12;/h2-9H,16H2,1H3;1H
InChIKey
MOIPIJDILYNUMK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)n1c(C)nc2c(c1=O)cccc2.Cl
Isomeric Smiles
n1(c2ccc(cc2)N)c(=O)c2c(nc1C)cccc2.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8229817
LogD (pH = 7.4)
1.826109
Log P
1.8261491
Molar Refractivity
76.7646
Polarizability
27.731886
Polar Surface Area
58.69
Rotatable Bonds
1
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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