Molecule

ID:116956

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂
Molecular Mass
176.25814
Exact Mass
176.13134852
Charge
0
InChI
InChI=1S/C11H16N2/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h1-5,11-13H,6-9H2
InChIKey
RITMXTLCKYLIKW-UHFFFAOYSA-N
Canonic Smiles
N1CCNC(C1)Cc1ccccc1
Isomeric Smiles
N1C(Cc2ccccc2)CNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.9334997
LogD (pH = 7.4)
-0.5955445
Log P
1.3440945
Molar Refractivity
54.4866
Polarizability
21.828024
Polar Surface Area
24.06
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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