Molecule

ID:46751

General Information
Structure
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)19-8-5-12-3-6-18-7-4-12;/h9,12,18H,3-8H2,1-2H3;1H
InChIKey
MXRZZGCHUXIACN-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(OCCC2CCNCC2)c(c(c1Cl)C)Cl.Cl
Isomeric Smiles
c1(c(c(cc(c1Cl)C)OCCC1CCNCC1)Cl)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2898948
LogD (pH = 7.4)
1.7462847
Log P
4.5214806
Molar Refractivity
81.8656
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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