Molecule

ID:14733

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂
Molecular Mass
212.29024
Exact Mass
212.13134852
Charge
0
InChI
InChI=1S/C14H16N2/c1-2-6-13(7-3-1)9-11-15-12-14-8-4-5-10-16-14/h1-8,10,15H,9,11-12H2
InChIKey
BPCVSTFLDMPNBX-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CCNCc1ccccn1
Isomeric Smiles
c1(CCNCc2ccccn2)ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.49246013
LogD (pH = 7.4)
1.1250004
Log P
2.4085283
Molar Refractivity
65.9945
Polarizability
26.055824
Polar Surface Area
24.92
Rotatable Bonds
5
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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