Molecule

ID:71687

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₂
Molecular Mass
204.22518
Exact Mass
204.08987763
Charge
0
InChI
InChI=1S/C11H12N2O2/c1-15-11(14)6-7-13-8-12-9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3
InChIKey
NOIRWGDCLMOMJK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCn1cnc2c1cccc2
Isomeric Smiles
c1ccc2c(c1)ncn2CCC(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0400637
LogD (pH = 7.4)
1.337763
Log P
1.3440702
Molar Refractivity
55.4183
Polarizability
22.772633
Polar Surface Area
44.12
Rotatable Bonds
4
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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