Molecule

ID:28827

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃N
Molecular Mass
135.20622
Exact Mass
135.10479942
Charge
0
InChI
InChI=1S/C9H13N/c1-7-4-5-9(10-3)8(2)6-7/h4-6,10H,1-3H3
InChIKey
ZIOFXYGGAJKWHX-UHFFFAOYSA-N
Canonic Smiles
CNc1ccc(cc1C)C
Isomeric Smiles
c1(c(ccc(c1)C)NC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3396413
LogD (pH = 7.4)
2.4709063
Log P
2.4728668
Molar Refractivity
46.3342
Polarizability
16.874317
Polar Surface Area
12.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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