Molecule

ID:29198

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N
Molecular Mass
149.2328
Exact Mass
149.12044949
Charge
0
InChI
InChI=1S/C10H15N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
InChIKey
VSHTWPWTCXQLQN-UHFFFAOYSA-N
Canonic Smiles
CCCCNc1ccccc1
Isomeric Smiles
N(c1ccccc1)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6449525
LogD (pH = 7.4)
2.7681022
Log P
2.769923
Molar Refractivity
50.1254
Polarizability
18.88498
Polar Surface Area
12.03
Rotatable Bonds
4
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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