Molecule

ID:116950

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈N₂
Molecular Mass
202.29542
Exact Mass
202.14699859
Charge
0
InChI
InChI=1S/C13H18N2/c1-2-4-11(5-3-1)13-10-15(9-8-14-13)12-6-7-12/h1-5,12-14H,6-10H2
InChIKey
NKJDZNKWCJHXAN-UHFFFAOYSA-N
Canonic Smiles
C1NC(CN(C1)C1CC1)c1ccccc1
Isomeric Smiles
N1(C2CC2)CC(NCC1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2280363
LogD (pH = 7.4)
0.3905304
Log P
1.9040458
Molar Refractivity
62.2375
Polarizability
24.856655
Polar Surface Area
15.27
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
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Molecule Details
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References
Bioactivity
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