Molecule
ID:122077
General Information
Molecular Formula
C₁₅H₁₈N₂O₄
Molecular Mass
290.31442
Exact Mass
290.12665707
Charge
0
InChI
InChI=1S/C15H18N2O4/c18-13(17-8-6-12(7-9-17)15(20)21)10-16-14(19)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,19)(H,20,21)
InChIKey
ZUUISFSUTQXIJA-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)C(=O)O)CNC(=O)c1ccccc1
Isomeric Smiles
N1(C(=O)CNC(=O)c2ccccc2)CCC(C(=O)O)CC1
Calculated Properties
Provided by Enamine
CLogP
-0.17
H Donor
2
Polar Surface Area
86.71
Rotatable Bonds
4
JChem
Log P
0.24
LogD (pH = 7.4)
-2.89
LogD (pH = 5.5)
-1.23
Rotatable Bonds
4
H Donor
2
H Acceptors
4
Polar Surface Area
86.71
Molar Refractivity
76
Polarizability
30.22
Acid pKa
4.04
Lipinski's Rule of Five
true
LOG S
-2.54
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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