Molecule

ID:58691

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂
Molecular Mass
210.27436
Exact Mass
210.11569846
Charge
0
InChI
InChI=1S/C14H14N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10H,15-16H2/b2-1+
InChIKey
KOGDFDWINXIWHI-OWOJBTEDSA-N
Canonic Smiles
Nc1ccc(cc1)/C=C/c1ccc(cc1)N
Isomeric Smiles
c1cc(ccc1N)/C=C/c1ccc(cc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.6053338
LogD (pH = 7.4)
2.6545832
Log P
2.655235
Molar Refractivity
70.9136
Polarizability
25.861563
Polar Surface Area
52.04
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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