Molecule
ID:112481
General Information
Molecular Formula
C₁₀H₁₃N
Molecular Mass
147.21692
Exact Mass
147.10479942
Charge
0
InChI
InChI=1S/C10H13N/c1-2-4-10(5-3-1)6-7-11-8-9-11/h1-5H,6-9H2
InChIKey
QSHMWSLFNQLCNI-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CCN1CC1
Isomeric Smiles
C1CN1CCc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.1364902
LogD (pH = 7.4)
1.9957426
Log P
2.0317788
Molar Refractivity
47.3867
Polarizability
18.46542
Polar Surface Area
3.24
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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