Molecule
ID:45268
General Information
Molecular Formula
C₁₀H₁₅N
Molecular Mass
149.2328
Exact Mass
149.12044949
Charge
0
InChI
InChI=1S/C10H15N/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8H,3,11H2,1-2H3
InChIKey
NVVVQTNTLIAISI-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)N)C
Isomeric Smiles
c1(ccc(N)cc1)C(CC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.745523
LogD (pH = 7.4)
2.832664
Log P
2.8338976
Molar Refractivity
49.5502
Polarizability
18.801504
Polar Surface Area
26.02
Rotatable Bonds
2
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
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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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