Molecule
ID:38681
General Information
Molecular Formula
C₂₄H₂₁NO₄
Molecular Mass
387.42784
Exact Mass
387.14705816
Charge
0
InChI
InChI=1S/C24H21NO4/c1-15-8-2-3-9-16(15)22(23(26)27)25-24(28)29-14-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h2-13,21-22H,14H2,1H3,(H,25,28)(H,26,27)
InChIKey
NZNJRXYPNDCAEN-UHFFFAOYSA-N
Canonic Smiles
O=C(NC(c1ccccc1C)C(=O)O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
c1ccc(c(c1)C(C(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2)C
Calculated Properties
JChem
Acid pKa
3.7766407
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.201644
LogD (pH = 7.4)
1.653449
Log P
4.9264035
Molar Refractivity
109.4823
Polarizability
43.51783
Polar Surface Area
75.63
Rotatable Bonds
6
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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