Molecule

ID:71129

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅N₃
Molecular Mass
273.3318
Exact Mass
273.1265975
Charge
0
InChI
InChI=1S/C18H15N3/c1-11-7-16-17(8-12(11)2)21-18(10-20-16)14-9-19-15-6-4-3-5-13(14)15/h3-10,19H,1-2H3
InChIKey
OCDDPPOFFHBGEJ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2ncc(nc2cc1C)c1c[nH]c2c1cccc2
Isomeric Smiles
n1c(cnc2cc(c(cc12)C)C)c1c[nH]c2c1cccc2
Calculated Properties
JChem
Acid pKa
14.6130295
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.457658
LogD (pH = 7.4)
4.4577575
Log P
4.457759
Molar Refractivity
83.3835
Polarizability
36.03038
Polar Surface Area
41.57
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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