Molecule

ID:108963

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁N
Molecular Mass
193.24384
Exact Mass
193.08914936
Charge
0
InChI
InChI=1S/C14H11N/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,15H2
InChIKey
YCSBALJAGZKWFF-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)cc1c(c2)cccc1
Isomeric Smiles
Nc1ccc2cc3ccccc3cc2c1
Calculated Properties
JChem
LogD (pH = 7.4)
3.12
LogD (pH = 5.5)
3.10
Log P
3.12
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
4.25
Polar Surface Area
26.02
Polarizability
22.18
Molar Refractivity
63.66
LOG S
-5.01
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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