Molecule

ID:3053

General Information
Structure
Molecular Formula
C₁₄H₁₁N
Molecular Mass
193.24384
Exact Mass
193.08914936
Charge
0
InChI
InChI=1S/C14H11N/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H,15H2
InChIKey
KIHQWOBUUIPWAN-UHFFFAOYSA-N
Canonic Smiles
Nc1cc2ccccc2c2c1cccc2
Isomeric Smiles
c1cc2c(cc1)c1c(cc2N)cccc1
Calculated Properties
JChem
LogD (pH = 7.4)
3.12
LogD (pH = 5.5)
3.11
Log P
3.12
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
3.80
Polar Surface Area
26.02
Polarizability
21.86
Molar Refractivity
63.66
LOG S
-5.01
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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