Molecule

ID:128517

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O
Molecular Mass
190.24166
Exact Mass
190.11061308
Charge
0
InChI
InChI=1S/C11H14N2O/c1-12-5-4-8-7-13-11-3-2-9(14)6-10(8)11/h2-3,6-7,12-14H,4-5H2,1H3
InChIKey
ASUSBMNYRHGZIG-UHFFFAOYSA-N
Canonic Smiles
CNCCc1c[nH]c2c1cc(O)cc2
Isomeric Smiles
Oc1cc2c(cc1)[nH]cc2CCNC
Calculated Properties
JChem
LogD (pH = 7.4)
-1.03
LogD (pH = 5.5)
-1.61
Log P
0.69
Rotatable Bonds
3
H Donor
3
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
10.44
Polar Surface Area
48.05
Polarizability
21.40
Molar Refractivity
57.13
LOG S
-1.35
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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