Molecule

ID:118124

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁N
Molecular Mass
193.24384
Exact Mass
193.08914936
Charge
0
InChI
InChI=1S/C14H11N/c1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14/h2-9H,1H3
InChIKey
FLDRLXJNISEWNZ-UHFFFAOYSA-N
Canonic Smiles
Cc1c2ccccc2nc2c1cccc2
Isomeric Smiles
n1c2c(c(c3c1cccc3)C)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.844881
LogD (pH = 7.4)
3.9246287
Log P
4.019649
Molar Refractivity
61.0987
Polarizability
26.51675
Polar Surface Area
12.89
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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