Molecule

ID:75281

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O
Molecular Mass
188.22578
Exact Mass
188.09496301
Charge
0
InChI
InChI=1S/C11H12N2O/c1-7-8(2)13-11-6-9(14-3)4-5-10(11)12-7/h4-6H,1-3H3
InChIKey
QWGMPWRVGQLNHK-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)nc(c(n2)C)C
Isomeric Smiles
n1c(c(nc2cc(ccc12)OC)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.403534
LogD (pH = 7.4)
1.4041398
Log P
1.4041474
Molar Refractivity
53.0966
Polarizability
22.116951
Polar Surface Area
35.01
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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