Molecule

ID:30620

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O
Molecular Mass
186.2099
Exact Mass
186.07931295
Charge
0
InChI
InChI=1S/C11H10N2O/c1-9-3-4-11(10(7-9)8-14)13-6-2-5-12-13/h2-8H,1H3
InChIKey
LUDLYOVAMFPRFA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(C)ccc1n1cccn1
Isomeric Smiles
n1(c2c(cc(cc2)C)C=O)nccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2849317
LogD (pH = 7.4)
2.2849874
Log P
2.2849882
Molar Refractivity
56.0449
Polarizability
21.072033
Polar Surface Area
34.89
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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