Molecule

ID:42845

General Information
Structure
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-15-11(14)9-3-5-10(6-4-9)13-8-2-7-12-13/h2-8H,1H3
InChIKey
AGOPDJQWCXROJG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)n1cccn1
Isomeric Smiles
n1(nccc1)c1ccc(C(=O)OC)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0624843
LogD (pH = 7.4)
2.0625405
Log P
2.0625412
Molar Refractivity
56.445
Polarizability
21.823034
Polar Surface Area
44.12
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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