Molecule

ID:62014

General Information
Structure
Molecular Formula
C₁₀H₁₅N
Molecular Mass
149.2328
Exact Mass
149.12044949
Charge
0
InChI
InChI=1S/C10H15N/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3
InChIKey
HJMCIHLESAJJQL-UHFFFAOYSA-N
Canonic Smiles
NCCC(c1ccccc1)C
Isomeric Smiles
c1(C(CCN)C)ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.9004879
LogD (pH = 7.4)
-0.37264422
Log P
2.1192632
Molar Refractivity
48.436
Polarizability
19.211622
Polar Surface Area
26.02
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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