Molecule

ID:47524

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆Cl₂N₂O₃
Molecular Mass
343.20514
Exact Mass
342.05379774
Charge
0
InChI
InChI=1S/C15H15ClN2O3.ClH/c1-20-15(19)12-7-9(8-18-12)21-13-5-4-11(16)10-3-2-6-17-14(10)13;/h2-6,9,12,18H,7-8H2,1H3;1H/t9-,12-;/m0./s1
InChIKey
GVIVTWORAZLVHF-CSDGMEMJSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1ccc(c2c1nccc2)Cl.Cl
Isomeric Smiles
Cl.[C@@H]1(C[C@H](NC1)C(=O)OC)Oc1ccc(c2c1nccc2)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.9751119
LogD (pH = 7.4)
1.9475342
Log P
1.996906
Molar Refractivity
77.1373
Polarizability
32.108196
Polar Surface Area
60.45
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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