Molecule

ID:15144

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N
Molecular Mass
149.2328
Exact Mass
149.12044949
Charge
0
InChI
InChI=1S/C10H15N/c1-11-9-5-8-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3
InChIKey
MLHBZVFOTDJTPK-UHFFFAOYSA-N
Canonic Smiles
CNCCCc1ccccc1
Isomeric Smiles
c1(CCCNC)ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.96465075
LogD (pH = 7.4)
-0.45538872
Log P
2.2648246
Molar Refractivity
48.662
Polarizability
19.212511
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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