Molecule

ID:101362

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O
Molecular Mass
188.22578
Exact Mass
188.09496301
Charge
0
InChI
InChI=1S/C11H12N2O/c1-12-7-9-4-5-10(13-8-9)11-3-2-6-14-11/h2-6,8,12H,7H2,1H3
InChIKey
UDZJNNURWGNFCN-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccc(nc1)c1ccco1
Isomeric Smiles
n1c(c2occc2)ccc(c1)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.691255
LogD (pH = 7.4)
-0.3354911
Log P
1.4072446
Molar Refractivity
54.3042
Polarizability
22.494762
Polar Surface Area
38.06
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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