Molecule

ID:66574

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃N₃
Molecular Mass
223.27312
Exact Mass
223.11094743
Charge
0
InChI
InChI=1S/C14H13N3/c15-13-6-7-14-12(8-13)9-16-17(14)10-11-4-2-1-3-5-11/h1-9H,10,15H2
InChIKey
BQUSMTPKYUILPD-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)cnn2Cc1ccccc1
Isomeric Smiles
Nc1cc2cnn(c2cc1)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3121395
LogD (pH = 7.4)
2.315488
Log P
2.315531
Molar Refractivity
80.6021
Polarizability
27.201607
Polar Surface Area
43.84
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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