Molecule

ID:23247

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅Cl₂FN₂O₂
Molecular Mass
357.2069032
Exact Mass
356.04946131
Charge
0
InChI
InChI=1S/C16H15Cl2FN2O2/c17-10-3-6-15(12(18)8-10)23-7-1-2-16(22)21-14-9-11(20)4-5-13(14)19/h3-6,8-9H,1-2,7,20H2,(H,21,22)
InChIKey
OTKLXZZAUCEVID-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(N)ccc1F)CCCOc1ccc(cc1Cl)Cl
Isomeric Smiles
c1(NC(=O)CCCOc2c(cc(cc2)Cl)Cl)cc(N)ccc1F
Calculated Properties
JChem
Acid pKa
11.906157
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.7711146
LogD (pH = 7.4)
3.775332
Log P
3.775399
Molar Refractivity
90.8639
Polarizability
33.81866
Polar Surface Area
64.35
Rotatable Bonds
6
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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