Molecule

ID:78646

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀ClN₃O₃
Molecular Mass
325.7906
Exact Mass
325.1193192
Charge
0
InChI
InChI=1S/C15H20ClN3O3/c1-15(2,3)22-14(21)19-8-6-18(7-9-19)13(20)11-4-5-17-12(16)10-11/h4-5,10H,6-9H2,1-3H3
InChIKey
GBCJAYPOHWRWLJ-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCN(CC1)C(=O)c1ccnc(c1)Cl)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)CCN(C(=O)c2cc(ncc2)Cl)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6250517
LogD (pH = 7.4)
1.6250523
Log P
1.6250523
Molar Refractivity
84.3895
Polarizability
32.028515
Polar Surface Area
62.74
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
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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