Molecule

ID:10091

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₂
Molecular Mass
204.22518
Exact Mass
204.08987763
Charge
0
InChI
InChI=1S/C11H12N2O2/c1-14-11(15-2)10-4-3-8-7-12-6-5-9(8)13-10/h3-7,11H,1-2H3
InChIKey
CYCMPLXDBDQCQE-UHFFFAOYSA-N
Canonic Smiles
COC(c1ccc2c(n1)ccnc2)OC
Isomeric Smiles
n1ccc2c(c1)ccc(n2)C(OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.2062123
LogD (pH = 7.4)
1.2246225
Log P
1.2248635
Molar Refractivity
54.8169
Polarizability
22.945429
Polar Surface Area
44.24
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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