Molecule

ID:69978

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N
Molecular Mass
159.22762
Exact Mass
159.10479942
Charge
0
InChI
InChI=1S/C11H13N/c1-8-11(2,3)9-6-4-5-7-10(9)12-8/h4-7H,1-3H3
InChIKey
FLHJIAFUWHPJRT-UHFFFAOYSA-N
Canonic Smiles
CC1=Nc2c(C1(C)C)cccc2
Isomeric Smiles
N1=C(C(c2ccccc12)(C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0929217
LogD (pH = 7.4)
3.226131
Log P
3.228133
Molar Refractivity
52.6798
Polarizability
19.54943
Polar Surface Area
12.36
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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