Molecule

ID:101720

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₂
Molecular Mass
222.28506
Exact Mass
222.11569846
Charge
0
InChI
InChI=1S/C15H14N2/c16-14-6-7-15-13(10-14)8-9-17(15)11-12-4-2-1-3-5-12/h1-10H,11,16H2
InChIKey
UYDNPZLYDODKKA-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)ccn2Cc1ccccc1
Isomeric Smiles
n1(c2c(cc1)cc(cc2)N)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1843977
LogD (pH = 7.4)
3.1911442
Log P
3.191231
Molar Refractivity
71.3542
Polarizability
28.152277
Polar Surface Area
30.95
Rotatable Bonds
2
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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