Molecule

ID:127621

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇Cl₂NO
Molecular Mass
286.19688
Exact Mass
285.06871953
Charge
0
InChI
InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3
InChIKey
ICXJGCSEMJXNQF-UHFFFAOYSA-N
Canonic Smiles
COCC12CNCCC2(C1)c1ccc(c(c1)Cl)Cl
Isomeric Smiles
COCC12CC1(CCNC2)c1cc(Cl)c(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.41645744
LogD (pH = 7.4)
0.4978862
Log P
2.7834816
Molar Refractivity
74.5561
Polarizability
29.513384
Polar Surface Area
21.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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