Molecule

ID:30932

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂
Molecular Mass
198.26366
Exact Mass
198.11569846
Charge
0
InChI
InChI=1S/C13H14N2/c1-2-5-11(6-3-1)13-12-7-4-9-15(12)10-8-14-13/h1-7,9,13-14H,8,10H2
InChIKey
OJWIBJCTTSRXTB-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)C1NCCn2c1ccc2
Isomeric Smiles
c12n(ccc2)CCNC1c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.21920742
LogD (pH = 7.4)
1.9037596
Log P
2.3678713
Molar Refractivity
61.1528
Polarizability
23.904852
Polar Surface Area
16.96
Rotatable Bonds
1
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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