Molecule

ID:5106

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆N₂O₂
Molecular Mass
304.34254
Exact Mass
304.12117776
Charge
0
InChI
InChI=1S/C19H16N2O2/c22-19(21-14-16-6-4-5-13-20-16)15-9-11-18(12-10-15)23-17-7-2-1-3-8-17/h1-13H,14H2,(H,21,22)
InChIKey
HVLSCZSVTCNAQX-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)Oc1ccccc1)NCc1ccccn1
Isomeric Smiles
n1c(cccc1)CNC(=O)c1ccc(cc1)Oc1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
3.14
LogD (pH = 5.5)
3.12
Log P
3.14
Rotatable Bonds
5
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.14
Polar Surface Area
51.22
Polarizability
32.64
Molar Refractivity
88.21
LOG S
-4.44
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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