Molecule

ID:85006

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁Cl₂NO₂
Molecular Mass
306.22804
Exact Mass
305.09493428
Charge
0
InChI
InChI=1S/C14H21Cl2NO2/c1-11(2)8-12(3)10(19-12)13(9(11)14(13,15)16)17-4-6-18-7-5-17/h9-10H,4-8H2,1-3H3
InChIKey
LENBNQSXDZTTGX-UHFFFAOYSA-N
Canonic Smiles
CC12OC2C2(C(C(C1)(C)C)C2(Cl)Cl)N1CCOCC1
Isomeric Smiles
O1C2C1(CC(C1C2(C1(Cl)Cl)N1CCOCC1)(C)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7145665
LogD (pH = 7.4)
2.7350764
Log P
2.7353442
Molar Refractivity
75.1796
Polarizability
30.237936
Polar Surface Area
25.0
Rotatable Bonds
1
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
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References
Bioactivity
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