Molecule

ID:47478

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉Cl₂NO₃
Molecular Mass
368.25436
Exact Mass
367.07419883
Charge
0
InChI
InChI=1S/C18H18ClNO3.ClH/c1-22-18(21)16-10-14(11-20-16)23-17-8-7-13(9-15(17)19)12-5-3-2-4-6-12;/h2-9,14,16,20H,10-11H2,1H3;1H/t14-,16-;/m0./s1
InChIKey
GSDJOWDKRWGGIJ-DMLYUBSXSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1ccc(cc1Cl)c1ccccc1.Cl
Isomeric Smiles
Cl.N1[C@H](C(=O)OC)C[C@H](Oc2c(cc(cc2)c2ccccc2)Cl)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.452675
LogD (pH = 7.4)
3.4356399
Log P
3.4864767
Molar Refractivity
88.3522
Polarizability
36.44028
Polar Surface Area
47.56
Rotatable Bonds
5
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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