Molecule
ID:28922
General Information
Molecular Formula
C₁₀H₁₅N
Molecular Mass
149.2328
Exact Mass
149.12044949
Charge
0
InChI
InChI=1S/C10H15N/c1-4-11-10-6-8(2)5-9(3)7-10/h5-7,11H,4H2,1-3H3
InChIKey
PNBMTHXANKLTAT-UHFFFAOYSA-N
Canonic Smiles
CCNc1cc(C)cc(c1)C
Isomeric Smiles
c1(cc(cc(c1)C)C)NCC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6744018
LogD (pH = 7.4)
2.8273284
Log P
2.8296747
Molar Refractivity
51.0828
Polarizability
18.722004
Polar Surface Area
12.03
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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