Molecule

ID:55041

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄Cl₃NO
Molecular Mass
270.58326
Exact Mass
269.01409711
Charge
0
InChI
InChI=1S/C10H13Cl2NO.ClH/c1-6-5-8(14-4-3-13)10(12)7(2)9(6)11;/h5H,3-4,13H2,1-2H3;1H
InChIKey
LYIXNBNJZAGQRN-UHFFFAOYSA-N
Canonic Smiles
NCCOc1cc(C)c(c(c1Cl)C)Cl.Cl
Isomeric Smiles
c1(c(c(cc(c1Cl)C)OCCN)Cl)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.2919305
LogD (pH = 7.4)
1.3975966
Log P
3.2535229
Molar Refractivity
60.163
Polarizability
23.509336
Polar Surface Area
35.25
Rotatable Bonds
3
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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