Molecule

ID:3237

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₈N₂O₅
Molecular Mass
364.43602
Exact Mass
364.19982201
Charge
0
InChI
InChI=1S/C19H28N2O5/c1-13(2)10-11-20-18(25)15(9-8-14-6-4-3-5-7-14)21-19(26)16(22)12-17(23)24/h3-7,13,15-16,22H,8-12H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t15-,16+/m1/s1
InChIKey
KVZMXOVSHIMGNA-CVEARBPZSA-N
Canonic Smiles
CC(CCNC(=O)[C@H](NC(=O)[C@H](CC(=O)O)O)CCc1ccccc1)C
Isomeric Smiles
C(=O)(O)C[C@H](O)C(=O)N[C@H](CCc1ccccc1)C(=O)NCCC(C)C
Calculated Properties
JChem
Acid pKa
3.9988635
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-0.032186836
LogD (pH = 7.4)
-1.681339
Log P
1.4783862
Molar Refractivity
96.5337
Polarizability
37.858498
Polar Surface Area
115.73
Rotatable Bonds
11
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
1.26
LOG S
-3.39
Solubility (Water)
1.49e-01 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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