Molecule
ID:124679
General Information
Molecular Formula
C₁₅H₁₄N₂
Molecular Mass
222.28506
Exact Mass
222.11569846
Charge
0
InChI
InChI=1S/C15H14N2/c16-14-7-4-8-15-13(14)9-10-17(15)11-12-5-2-1-3-6-12/h1-10H,11,16H2
InChIKey
YXEHMLGBGHNYJV-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc2c1ccn2Cc1ccccc1
Isomeric Smiles
n1(c2c(cc1)c(N)ccc2)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.187497
LogD (pH = 7.4)
3.1911838
Log P
3.191231
Molar Refractivity
71.3542
Polarizability
28.154226
Polar Surface Area
30.95
Rotatable Bonds
2
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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