Molecule

ID:34449

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁NO
Molecular Mass
209.24324
Exact Mass
209.08406398
Charge
0
InChI
InChI=1S/C14H11NO/c15-12-8-4-7-11-9-13(16-14(11)12)10-5-2-1-3-6-10/h1-9H,15H2
InChIKey
SRQPIGJOUMZWNK-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc2c1oc(c2)c1ccccc1
Isomeric Smiles
c12c(cccc1cc(o2)c1ccccc1)N
Calculated Properties
JChem
Acid pKa
18.622765
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8705254
LogD (pH = 7.4)
2.870668
Log P
2.8706698
Molar Refractivity
64.6132
Polarizability
26.969261
Polar Surface Area
39.16
Rotatable Bonds
1
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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