Molecule
ID:39504
General Information
Molecular Formula
C₂₄H₁₉NO₄
Molecular Mass
385.41196
Exact Mass
385.13140809
Charge
0
InChI
InChI=1S/C24H19NO4/c26-23(27)22-13-15-7-1-6-12-21(15)25(22)24(28)29-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-12,20,22H,13-14H2,(H,26,27)/t22-/m0/s1
InChIKey
FWYAYXBFHLDIRA-QFIPXVFZSA-N
Canonic Smiles
OC(=O)[C@@H]1Cc2c(N1C(=O)OCC1c3ccccc3c3c1cccc3)cccc2
Isomeric Smiles
c1ccc2c(c1)C[C@H](N2C(=O)OCC1c2c(c3c1cccc3)cccc2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8307269
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.9375072
LogD (pH = 7.4)
1.3620303
Log P
4.610032
Molar Refractivity
107.8124
Polarizability
42.84918
Polar Surface Area
66.84
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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