Molecule

ID:33522

General Information
Structure
Molecular Formula
C₁₄H₁₄ClN₃O₃
Molecular Mass
307.73226
Exact Mass
307.072369
Charge
0
InChI
InChI=1S/C14H14ClN3O3/c15-9-12-16-13(17-21-12)10-1-3-11(4-2-10)14(19)18-5-7-20-8-6-18/h1-4H,5-9H2
InChIKey
XCZQHIOUZOHRII-UHFFFAOYSA-N
Canonic Smiles
ClCc1onc(n1)c1ccc(cc1)C(=O)N1CCOCC1
Isomeric Smiles
n1c(noc1CCl)c1ccc(C(=O)N2CCOCC2)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8904144
LogD (pH = 7.4)
1.8904147
Log P
1.8904147
Molar Refractivity
89.2254
Polarizability
29.626396
Polar Surface Area
68.46
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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