Molecule

ID:61503

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N
Molecular Mass
147.21692
Exact Mass
147.10479942
Charge
0
InChI
InChI=1S/C10H13N/c11-7-9-3-1-2-4-10(9)8-5-6-8/h1-4,8H,5-7,11H2
InChIKey
XSUSWKYDSROWDL-UHFFFAOYSA-N
Canonic Smiles
NCc1ccccc1C1CC1
Isomeric Smiles
C1(CC1)c1c(CN)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.1076564
LogD (pH = 7.4)
-0.16890724
Log P
1.8802975
Molar Refractivity
46.92
Polarizability
18.460348
Polar Surface Area
26.02
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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