Molecule

ID:21375

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄Cl₂FNO₃
Molecular Mass
310.1488632
Exact Mass
309.03347689
Charge
0
InChI
InChI=1S/C12H13ClFNO3.ClH/c1-17-12(16)10-5-8(6-15-10)18-11-3-2-7(13)4-9(11)14;/h2-4,8,10,15H,5-6H2,1H3;1H/t8-,10-;/m0./s1
InChIKey
BDUOKLCLANWZLE-GNAZCLTHSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1ccc(cc1F)Cl.Cl
Isomeric Smiles
N1[C@H](C(=O)OC)C[C@H](Oc2c(cc(cc2)Cl)F)C1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.97157377
LogD (pH = 7.4)
1.9339156
Log P
1.9819533
Molar Refractivity
63.4324
Polarizability
25.276897
Polar Surface Area
47.56
Rotatable Bonds
4
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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