Molecule

ID:35599

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N
Molecular Mass
149.2328
Exact Mass
149.12044949
Charge
0
InChI
InChI=1S/C10H15N/c1-3-7-11-10-6-4-5-9(2)8-10/h4-6,8,11H,3,7H2,1-2H3
InChIKey
IUNVPXVTJRNCEK-UHFFFAOYSA-N
Canonic Smiles
CCCNc1cccc(c1)C
Isomeric Smiles
N(c1cc(ccc1)C)CCC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6898012
LogD (pH = 7.4)
2.8365417
Log P
2.8387756
Molar Refractivity
50.5656
Polarizability
18.803396
Polar Surface Area
12.03
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
No Data Available
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Molecule Details
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References
Bioactivity
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