Molecule

ID:41884

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄ClN₃O
Molecular Mass
275.73346
Exact Mass
275.08253976
Charge
0
InChI
InChI=1S/C14H14ClN3O/c15-12-10-13(18-6-8-19-9-7-18)17-14(16-12)11-4-2-1-3-5-11/h1-5,10H,6-9H2
InChIKey
BCZUTFTXOOUHBV-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(nc(n1)c1ccccc1)N1CCOCC1
Isomeric Smiles
n1c(cc(nc1c1ccccc1)Cl)N1CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.7901301
LogD (pH = 7.4)
3.7918165
Log P
3.791838
Molar Refractivity
87.8161
Polarizability
29.212585
Polar Surface Area
38.25
Rotatable Bonds
2
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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