Molecule

ID:111668

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃N
Molecular Mass
135.20622
Exact Mass
135.10479942
Charge
0
InChI
InChI=1S/C9H13N/c1-9(2,3)8-4-6-10-7-5-8/h4-7H,1-3H3
InChIKey
YSHMQTRICHYLGF-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccncc1)(C)C
Isomeric Smiles
CC(C)(C)c1ccncc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0122848
LogD (pH = 7.4)
2.2948952
Log P
2.3006296
Molar Refractivity
42.567
Polarizability
16.745441
Polar Surface Area
12.89
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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