Molecule
ID:124154
General Information
Molecular Formula
C₁₄H₁₄ClN₃O₂
Molecular Mass
291.73286
Exact Mass
291.07745438
Charge
0
InChI
InChI=1S/C14H13N3O2.ClH/c15-8-14-16-13(17-19-14)9-18-12-6-5-10-3-1-2-4-11(10)7-12;/h1-7H,8-9,15H2;1H
InChIKey
XGRHARLHFHUXFH-UHFFFAOYSA-N
Canonic Smiles
NCc1onc(n1)COc1ccc2c(c1)cccc2.Cl
Isomeric Smiles
n1c(noc1CN)COc1cc2c(cc1)cccc2.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.49522123
LogD (pH = 7.4)
1.9176849
Log P
2.0931559
Molar Refractivity
71.5112
Polarizability
28.412502
Polar Surface Area
74.17
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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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