Molecule

ID:60433

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃N
Molecular Mass
135.20622
Exact Mass
135.10479942
Charge
0
InChI
InChI=1S/C9H13N/c1-8(10-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChIKey
RCSSHZGQHHEHPZ-UHFFFAOYSA-N
Canonic Smiles
CNC(c1ccccc1)C
Isomeric Smiles
c1(C(NC)C)ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2559385
LogD (pH = 7.4)
-0.37916717
Log P
1.9481697
Molar Refractivity
43.7248
Polarizability
17.443655
Polar Surface Area
12.03
Rotatable Bonds
2
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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