Molecule

ID:20030

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅Cl₂NO₂
Molecular Mass
252.1376
Exact Mass
251.04798409
Charge
0
InChI
InChI=1S/C10H14ClNO2.ClH/c1-2-13-5-6-14-10-4-3-8(12)7-9(10)11;/h3-4,7H,2,5-6,12H2,1H3;1H
InChIKey
NZOPJUWTAIUBCQ-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1ccc(cc1Cl)N.Cl
Isomeric Smiles
c1(cc(N)ccc1OCCOCC)Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8757666
LogD (pH = 7.4)
1.900205
Log P
1.9005257
Molar Refractivity
57.8185
Polarizability
22.106905
Polar Surface Area
44.48
Rotatable Bonds
5
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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