Molecule

ID:46210

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇Cl₂NO
Molecular Mass
262.17548
Exact Mass
261.06871953
Charge
0
InChI
InChI=1S/C12H16ClNO.ClH/c1-9-2-3-12(11(13)6-9)15-8-10-4-5-14-7-10;/h2-3,6,10,14H,4-5,7-8H2,1H3;1H
InChIKey
NPCBFPBBASYYRY-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)Cl)OCC1CNCC1.Cl
Isomeric Smiles
c1(c(OCC2CNCC2)ccc(c1)C)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6051855
LogD (pH = 7.4)
-0.44657546
Log P
2.6343877
Molar Refractivity
62.6418
Polarizability
24.654686
Polar Surface Area
21.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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