Molecule

ID:52828

General Information
Structure
Molecular Formula
C₁₁H₁₂N₂O₂
Molecular Mass
204.22518
Exact Mass
204.08987763
Charge
0
InChI
InChI=1S/C11H12N2O2/c1-14-10-5-7-8(12)3-4-13-9(7)6-11(10)15-2/h3-6H,1-2H3,(H2,12,13)
InChIKey
UZVYGOXJMRZJFK-UHFFFAOYSA-N
Canonic Smiles
COc1cc2c(N)ccnc2cc1OC
Isomeric Smiles
c1(c(cc2c(c1)c(ccn2)N)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.3503449
LogD (pH = 7.4)
-0.089460015
Log P
0.986632
Molar Refractivity
57.6061
Polarizability
23.111032
Polar Surface Area
57.37
Rotatable Bonds
2
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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