Molecule

ID:46753

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂Cl₃NO
Molecular Mass
338.70028
Exact Mass
337.07669737
Charge
0
InChI
InChI=1S/C15H21Cl2NO.ClH/c1-10-9-13(15(17)11(2)14(10)16)19-8-6-12-5-3-4-7-18-12;/h9,12,18H,3-8H2,1-2H3;1H
InChIKey
WWGSUTOGQWFQOV-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(OCCC2CCCCN2)c(c(c1Cl)C)Cl.Cl
Isomeric Smiles
c1(c(c(cc(c1Cl)C)OCCC1NCCCC1)Cl)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4306614
LogD (pH = 7.4)
2.0235643
Log P
4.656196
Molar Refractivity
81.6152
Polarizability
31.968548
Polar Surface Area
21.26
Rotatable Bonds
4
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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