Molecule

ID:19221

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂
Molecular Mass
176.25814
Exact Mass
176.13134852
Charge
0
InChI
InChI=1S/C11H16N2/c1-13-8-7-12-11(9-13)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3
InChIKey
IRMBVBDXXYXPEW-UHFFFAOYSA-N
Canonic Smiles
CN1CCNC(C1)c1ccccc1
Isomeric Smiles
N1(CC(NCC1)c1ccccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6717873
LogD (pH = 7.4)
-0.047837812
Log P
1.4384813
Molar Refractivity
55.0263
Polarizability
21.905684
Polar Surface Area
15.27
Rotatable Bonds
1
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
No Data Available
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Molecule Details
References
Bioactivity
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