Molecule

ID:28593

General Information
Structure
Molecular Formula
C₁₉H₁₇NO₂
Molecular Mass
291.34378
Exact Mass
291.12592879
Charge
0
InChI
InChI=1S/C19H17NO2/c21-19(22)13-9-10-17-16(11-13)14-7-4-8-15(14)18(20-17)12-5-2-1-3-6-12/h1-7,9-11,14-15,18,20H,8H2,(H,21,22)/t14-,15+,18+/m0/s1
InChIKey
LKCVPAJAXLUURH-HDMKZQKVSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](N2)c1ccccc1
Isomeric Smiles
N1[C@@H]([C@H]2[C@@H](c3c1ccc(c3)C(=O)O)C=CC2)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.683734
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.7639349
LogD (pH = 7.4)
0.9863631
Log P
3.6432173
Molar Refractivity
88.637
Polarizability
32.73335
Polar Surface Area
49.33
Rotatable Bonds
2
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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