Molecule

ID:29514

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇Cl₂NO
Molecular Mass
310.21828
Exact Mass
309.06871953
Charge
0
InChI
InChI=1S/C16H17Cl2NO/c1-11-3-5-14(9-12(11)2)19-7-8-20-16-6-4-13(17)10-15(16)18/h3-6,9-10,19H,7-8H2,1-2H3
InChIKey
PCDYIOMAGGILQQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)OCCNc1ccc(c(c1)C)C
Isomeric Smiles
c1(cc(ccc1OCCNc1cc(c(cc1)C)C)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.2624483
LogD (pH = 7.4)
5.324159
Log P
5.3250055
Molar Refractivity
86.496
Polarizability
32.697754
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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