Molecule

ID:39139

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₅NO₄
Molecular Mass
391.4596
Exact Mass
391.17835829
Charge
0
InChI
InChI=1S/C24H25NO4/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/h2-5,8-11,15,20-22H,1,6-7,12-14H2,(H,26,27)/t15-,21-,22-/m0/s1
InChIKey
JBZXLQHJZHITMW-RXYZOABWSA-N
Canonic Smiles
OC(=O)[C@@H]1C[C@H]2[C@@H](N1C(=O)OCC1c3ccccc3c3c1cccc3)CCCC2
Isomeric Smiles
C1CC[C@H]2[C@@H](C1)C[C@H](N2C(=O)OCC1c2c(c3c1cccc3)cccc2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.869935
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.9682095
LogD (pH = 7.4)
1.3740313
Log P
4.6028957
Molar Refractivity
108.4794
Polarizability
43.588387
Polar Surface Area
66.84
Rotatable Bonds
4
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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