Molecule

ID:50391

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂
Molecular Mass
176.25814
Exact Mass
176.13134852
Charge
0
InChI
InChI=1S/C11H16N2/c12-6-11-8-13(9-11)7-10-4-2-1-3-5-10/h1-5,11H,6-9,12H2
InChIKey
UMJRHEQDUBTCKT-UHFFFAOYSA-N
Canonic Smiles
NCC1CN(C1)Cc1ccccc1
Isomeric Smiles
N1(CC(C1)CN)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.018735
LogD (pH = 7.4)
-1.9314232
Log P
0.99991965
Molar Refractivity
55.1389
Polarizability
21.906347
Polar Surface Area
29.26
Rotatable Bonds
3
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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