Molecule

ID:128673

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉Cl₂NO
Molecular Mass
300.22346
Exact Mass
299.08436959
Charge
0
InChI
InChI=1S/C15H19Cl2NO/c1-19-8-12-11(7-10-3-5-15(12)18-10)9-2-4-13(16)14(17)6-9/h2,4,6,10-12,15,18H,3,5,7-8H2,1H3
InChIKey
FPTPUYCHSWIWIB-UHFFFAOYSA-N
Canonic Smiles
COCC1C2CCC(N2)CC1c1ccc(c(c1)Cl)Cl
Isomeric Smiles
Clc1ccc(cc1Cl)C1C(COC)C2NC(C1)CC2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.18535618
LogD (pH = 7.4)
0.355713
Log P
3.424709
Molar Refractivity
79.0227
Polarizability
31.35072
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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