Molecule

ID:104239

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₅N₃O₄
Molecular Mass
357.4882
Exact Mass
357.26275662
Charge
0
InChI
InChI=1S/C18H35N3O4/c1-10(2)7-13(19)16(22)20-14(8-11(3)4)17(23)21-15(18(24)25)9-12(5)6/h10-15H,7-9,19H2,1-6H3,(H,20,22)(H,21,23)(H,24,25)
InChIKey
DNDWZFHLZVYOGF-UHFFFAOYSA-N
Canonic Smiles
CC(CC(C(=O)NC(C(=O)O)CC(C)C)NC(=O)C(CC(C)C)N)C
Isomeric Smiles
CC(C)CC(N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.85007
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-0.15681219
LogD (pH = 7.4)
-0.2175705
Log P
-0.15343833
Molar Refractivity
96.1129
Polarizability
38.363865
Polar Surface Area
121.52
Rotatable Bonds
11
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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