Molecule

ID:131468

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₈N₂O
Molecular Mass
290.35902
Exact Mass
290.14191321
Charge
0
InChI
InChI=1S/C19H18N2O/c20-18(12-14-6-2-1-3-7-14)19(22)21-17-11-10-15-8-4-5-9-16(15)13-17/h1-11,13,18H,12,20H2,(H,21,22)/t18-/m0/s1
InChIKey
QUOLUWPVABJBKU-SFHVURJKSA-N
Canonic Smiles
N[C@H](C(=O)Nc1ccc2c(c1)cccc2)Cc1ccccc1
Isomeric Smiles
c1ccc(cc1)C[C@@H](C(=O)Nc1ccc2ccccc2c1)N
Calculated Properties
JChem
LogD (pH = 7.4)
2.92
LogD (pH = 5.5)
1.23
Log P
3.50
Rotatable Bonds
4
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
7.85
Polar Surface Area
55.12
Polarizability
32.47
Molar Refractivity
89.84
LOG S
-5.24
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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