Molecule

ID:129375

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₆N₂O₄
Molecular Mass
370.44214
Exact Mass
370.18925732
Charge
0
InChI
InChI=1S/C21H26N2O4/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26)
InChIKey
RYIDHLJADOKWFM-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC2(C3(C1)CCN(C2Cc1c3c(O)c(cc1)C(=O)N)CC1CC1)O
Isomeric Smiles
C1CC1CN1CCC23CC(=O)CCC2(O)C1Cc1ccc(C(=O)N)c(c31)O
Calculated Properties
JChem
Acid pKa
7.8811445
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.4855962
LogD (pH = 7.4)
0.124002516
Log P
0.45865405
Molar Refractivity
101.0398
Polarizability
38.796593
Polar Surface Area
103.86
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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