Molecule

ID:107884

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₈N₂O₃
Molecular Mass
310.34712
Exact Mass
310.13174245
Charge
0
InChI
InChI=1S/C18H18N2O3/c19-16(18(21)22)8-13-10-20-17-9-14(6-7-15(13)17)23-11-12-4-2-1-3-5-12/h1-7,9-10,16,20H,8,11,19H2,(H,21,22)
InChIKey
CIIAXGODDHHBDG-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Cc1c[nH]c2c1ccc(c2)OCc1ccccc1)N
Isomeric Smiles
NC(Cc1c[nH]c2c1ccc(OCc1ccccc1)c2)C(=O)O
Calculated Properties
JChem
Acid pKa
2.0009336
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.48072374
LogD (pH = 7.4)
0.47681051
Log P
0.48069033
Molar Refractivity
87.2786
Polarizability
35.205032
Polar Surface Area
88.34
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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