Molecule

ID:31432

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉Cl₂NO
Molecular Mass
264.19136
Exact Mass
263.08436959
Charge
0
InChI
InChI=1S/C12H18ClNO.ClH/c1-8(2)10-7-11(13)9(3)6-12(10)15-5-4-14;/h6-8H,4-5,14H2,1-3H3;1H
InChIKey
YPTYPCQGJKVQIR-UHFFFAOYSA-N
Canonic Smiles
NCCOc1cc(C)c(cc1C(C)C)Cl.Cl
Isomeric Smiles
c1(cc(c(cc1OCCN)C)Cl)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.41946915
LogD (pH = 7.4)
1.5251129
Log P
3.3810658
Molar Refractivity
64.5078
Polarizability
25.2786
Polar Surface Area
35.25
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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