Molecule

ID:70994

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N
Molecular Mass
147.21692
Exact Mass
147.10479942
Charge
0
InChI
InChI=1S/C10H13N/c1-2-5-10-8-11-7-3-6-9(10)4-1/h1-2,4-5,11H,3,6-8H2
InChIKey
SIQBPWRTJNBBER-UHFFFAOYSA-N
Canonic Smiles
C1NCc2c(CC1)cccc2
Isomeric Smiles
N1Cc2c(CCC1)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.1909901
LogD (pH = 7.4)
-0.34301987
Log P
2.0160518
Molar Refractivity
47.2166
Polarizability
18.461323
Polar Surface Area
12.03
Rotatable Bonds
0
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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