Molecule

ID:29222

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇Cl₂NO
Molecular Mass
310.21828
Exact Mass
309.06871953
Charge
0
InChI
InChI=1S/C16H17Cl2NO/c1-11-3-4-14(18)9-16(11)19-10-12(2)20-15-7-5-13(17)6-8-15/h3-9,12,19H,10H2,1-2H3
InChIKey
QYBASFOIAXFQDK-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)Cl)CNc1cc(Cl)ccc1C
Isomeric Smiles
c1(NCC(Oc2ccc(Cl)cc2)C)cc(ccc1C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.222939
LogD (pH = 7.4)
5.228093
Log P
5.2281594
Molar Refractivity
85.8736
Polarizability
32.745697
Polar Surface Area
21.26
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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