Molecule

ID:59490

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O
Molecular Mass
186.2099
Exact Mass
186.07931295
Charge
0
InChI
InChI=1S/C11H10N2O/c14-9-11-12-6-7-13(11)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKey
AKFHFMMKMUJLBU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1nccn1Cc1ccccc1
Isomeric Smiles
n1(c(ncc1)C=O)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.162054
LogD (pH = 7.4)
2.1814115
Log P
2.181665
Molar Refractivity
54.5701
Polarizability
20.399914
Polar Surface Area
34.89
Rotatable Bonds
3
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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