Molecule

ID:19371

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N
Molecular Mass
147.21692
Exact Mass
147.10479942
Charge
0
InChI
InChI=1S/C10H13N/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-3,5-6,10-11H,4,7-8H2
InChIKey
JUTDHSGANMHVIC-UHFFFAOYSA-N
Canonic Smiles
C1CNC(C1)c1ccccc1
Isomeric Smiles
N1C(c2ccccc2)CCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2399172
LogD (pH = 7.4)
-0.96401614
Log P
1.9971591
Molar Refractivity
46.5172
Polarizability
18.54361
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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