Molecule

ID:133265

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁N₃O₄
Molecular Mass
307.34494
Exact Mass
307.15320617
Charge
0
InChI
InChI=1S/C15H21N3O4/c16-9-5-4-8-12(15(21)22)18-13(19)10-17-14(20)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,16H2,(H,17,20)(H,18,19)(H,21,22)
InChIKey
LRCZLURYHGISRZ-UHFFFAOYSA-N
Canonic Smiles
NCCCCC(C(=O)O)NC(=O)CNC(=O)c1ccccc1
Isomeric Smiles
c1ccc(cc1)C(=O)NCC(=O)NC(CCCCN)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4148664
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-2.4084044
LogD (pH = 7.4)
-2.4061263
Log P
-2.4057958
Molar Refractivity
80.7273
Polarizability
31.192606
Polar Surface Area
121.52
Rotatable Bonds
9
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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