Molecule

ID:70574

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃N
Molecular Mass
135.20622
Exact Mass
135.10479942
Charge
0
InChI
InChI=1S/C9H13N/c1-8(2)10-9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChIKey
FRCFWPVMFJMNDP-UHFFFAOYSA-N
Canonic Smiles
CC(Nc1ccccc1)C
Isomeric Smiles
N(c1ccccc1)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0798907
LogD (pH = 7.4)
2.2173383
Log P
2.2194068
Molar Refractivity
45.4192
Polarizability
17.037804
Polar Surface Area
12.03
Rotatable Bonds
2
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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