Molecule

ID:73550

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁NO
Molecular Mass
209.24324
Exact Mass
209.08406398
Charge
0
InChI
InChI=1S/C14H11NO/c16-12-6-3-5-10(8-12)14-9-11-4-1-2-7-13(11)15-14/h1-9,15-16H
InChIKey
NEHVUPZZAIICMZ-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)c1cc2c([nH]1)cccc2
Isomeric Smiles
[nH]1c(cc2ccccc12)c1cc(ccc1)O
Calculated Properties
JChem
Acid pKa
9.745956
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
3.3356445
LogD (pH = 7.4)
3.3337271
Log P
3.335669
Molar Refractivity
64.1391
Polarizability
27.271763
Polar Surface Area
36.02
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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