Molecule

ID:34694

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N
Molecular Mass
149.2328
Exact Mass
149.12044949
Charge
0
InChI
InChI=1S/C10H15N/c1-9(2)11-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKey
LYBKPDDZTNUNNM-UHFFFAOYSA-N
Canonic Smiles
CC(NCc1ccccc1)C
Isomeric Smiles
N(Cc1ccccc1)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.9055775
LogD (pH = 7.4)
-0.095136255
Log P
2.3049777
Molar Refractivity
48.4734
Polarizability
19.290985
Polar Surface Area
12.03
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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