Molecule

ID:89413

General Information
Structure
Molecular Formula
C₁₀H₁₅N
Molecular Mass
149.2328
Exact Mass
149.12044949
Charge
0
InChI
InChI=1S/C10H15N/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,11H2,1-3H3
InChIKey
WRDWWAVNELMWAM-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)N)(C)C
Isomeric Smiles
Nc1ccc(cc1)C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6077888
LogD (pH = 7.4)
2.6882463
Log P
2.689376
Molar Refractivity
49.4243
Polarizability
18.800817
Polar Surface Area
26.02
Rotatable Bonds
1
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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