Molecule

ID:33463

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇ClN₄O₃
Molecular Mass
324.76278
Exact Mass
324.0989181
Charge
0
InChI
InChI=1S/C14H16N4O3.ClH/c15-9-12-16-13(17-21-12)10-2-1-3-11(8-10)14(19)18-4-6-20-7-5-18;/h1-3,8H,4-7,9,15H2;1H
InChIKey
IPSDTVWTYSEJEU-UHFFFAOYSA-N
Canonic Smiles
NCc1onc(n1)c1cccc(c1)C(=O)N1CCOCC1.Cl
Isomeric Smiles
n1c(noc1CN)c1cc(C(=O)N2CCOCC2)ccc1.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.2073647
LogD (pH = 7.4)
0.22362237
Log P
0.4037409
Molar Refractivity
87.8319
Polarizability
29.27844
Polar Surface Area
94.48
Rotatable Bonds
3
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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