Molecule

ID:101374

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O
Molecular Mass
186.2099
Exact Mass
186.07931295
Charge
0
InChI
InChI=1S/C11H10N2O/c14-9-11-4-1-3-10(7-11)8-13-6-2-5-12-13/h1-7,9H,8H2
InChIKey
VKSSMLBTEXYZDT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)Cn1cccn1
Isomeric Smiles
n1(nccc1)Cc1cc(C=O)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8379581
LogD (pH = 7.4)
1.8380798
Log P
1.8380814
Molar Refractivity
66.158
Polarizability
20.380587
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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