Molecule

ID:74535

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N
Molecular Mass
145.20104
Exact Mass
145.08914936
Charge
0
InChI
InChI=1S/C10H11N/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6,11H,1-2H3
InChIKey
PYFVEIDRTLBMHG-UHFFFAOYSA-N
Canonic Smiles
Cc1[nH]c2c(c1C)cccc2
Isomeric Smiles
[nH]1c(c(c2c1cccc2)C)C
Calculated Properties
JChem
Acid pKa
17.578394
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.7849905
LogD (pH = 7.4)
2.7849905
Log P
2.7849905
Molar Refractivity
47.3354
Polarizability
19.183853
Polar Surface Area
15.79
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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