Molecule

ID:114017

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂
Molecular Mass
162.23156
Exact Mass
162.11569846
Charge
0
InChI
InChI=1S/C10H14N2/c1-7-6-8(2)12-10-9(7)4-3-5-11-10/h6H,3-5H2,1-2H3,(H,11,12)
InChIKey
DXIRHDQUVVQLGI-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c2c(n1)NCCC2
Isomeric Smiles
c12nc(cc(c1CCCN2)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.03281282
LogD (pH = 7.4)
0.8745904
Log P
1.9520577
Molar Refractivity
51.9517
Polarizability
18.818268
Polar Surface Area
24.92
Rotatable Bonds
0
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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