Molecule

ID:115766

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClN₃O₃
Molecular Mass
313.7799
Exact Mass
313.1193192
Charge
0
InChI
InChI=1S/C14H20ClN3O3/c1-14(2,3)21-13(19)18-8-6-10(7-9-18)20-12-5-4-11(15)16-17-12/h4-5,10H,6-9H2,1-3H3
InChIKey
HSMDYETYICNJOH-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)Oc1ccc(nn1)Cl)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC(Oc2nnc(Cl)cc2)CC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.9637628
LogD (pH = 7.4)
1.9637628
Log P
1.9637628
Molar Refractivity
81.5587
Polarizability
30.844648
Polar Surface Area
64.55
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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