Molecule

ID:132150

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉Cl₂NO
Molecular Mass
324.24486
Exact Mass
323.08436959
Charge
0
InChI
InChI=1S/C17H18ClNO.ClH/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12;/h2-6,9-10,15,20H,7-8,11H2,1H3;1H/t15-;/m1./s1
InChIKey
OYCAEWMSOPMASE-XFULWGLBSA-N
Canonic Smiles
CN1CCc2c([C@H](C1)c1ccccc1)cc(c(c2)Cl)O.Cl
Isomeric Smiles
CN1CCc2cc(c(cc2[C@H](C1)c1ccccc1)O)Cl.Cl
Calculated Properties
JChem
Acid pKa
7.7272134
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1550401
LogD (pH = 7.4)
2.7690248
Log P
3.0575705
Molar Refractivity
84.0176
Polarizability
32.255955
Polar Surface Area
23.47
Rotatable Bonds
1
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
No Data Available
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Molecule Details
References
Bioactivity
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