Molecule

ID:66671

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)10-15-7-6-12-8-14-9-13(12)15/h1-5,12-14H,6-10H2
InChIKey
LODPYENASSOOBD-UHFFFAOYSA-N
Canonic Smiles
N1CC2C(C1)N(CC2)Cc1ccccc1
Isomeric Smiles
N1(C2C(CC1)CNC2)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.0794115
LogD (pH = 7.4)
-1.6354578
Log P
1.5042317
Molar Refractivity
62.5765
Polarizability
24.857313
Polar Surface Area
15.27
Rotatable Bonds
2
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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