Molecule

ID:20847

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃Cl₂NO
Molecular Mass
246.13302
Exact Mass
245.0374194
Charge
0
InChI
InChI=1S/C11H13Cl2NO/c12-9-4-1-5-10(11(9)13)15-8-3-2-6-14-7-8/h1,4-5,8,14H,2-3,6-7H2
InChIKey
MZYHMWFKZMEGRK-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1Cl)OC1CCCNC1
Isomeric Smiles
c1(c(OC2CNCCC2)cccc1Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.034288302
LogD (pH = 7.4)
1.1271198
Log P
3.124825
Molar Refractivity
62.0664
Polarizability
24.813892
Polar Surface Area
21.26
Rotatable Bonds
2
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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