Molecule

ID:75232

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁N
Molecular Mass
133.19034
Exact Mass
133.08914936
Charge
0
InChI
InChI=1S/C9H11N/c10-9-6-2-4-7-3-1-5-8(7)9/h2,4,6H,1,3,5,10H2
InChIKey
RXTJLDXSGNEJIT-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc2c1CCC2
Isomeric Smiles
Nc1c2c(ccc1)CCC2
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1149688
LogD (pH = 7.4)
2.1515188
Log P
2.1520054
Molar Refractivity
43.6396
Polarizability
16.131561
Polar Surface Area
26.02
Rotatable Bonds
0
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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