Molecule

ID:128013

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂
Molecular Mass
198.26366
Exact Mass
198.11569846
Charge
0
InChI
InChI=1S/C13H14N2/c14-13(11-6-2-1-3-7-11)10-12-8-4-5-9-15-12/h1-9,13H,10,14H2/t13-/m0/s1
InChIKey
FWUQWDCOOWEXRY-ZDUSSCGKSA-N
Canonic Smiles
N[C@H](c1ccccc1)Cc1ccccn1
Isomeric Smiles
N[C@H](c1ccccc1)Cc1ncccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.01628
LogD (pH = 7.4)
-0.08548736
Log P
1.9840666
Molar Refractivity
60.8345
Polarizability
24.208086
Polar Surface Area
38.91
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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