Molecule

ID:80868

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄Cl₂N₂O₂
Molecular Mass
371.30136
Exact Mass
370.12148338
Charge
0
InChI
InChI=1S/C18H24Cl2N2O2/c19-17(20)16-14-5-2-1-4-13(14)12-15(16)18(23)21-6-3-7-22-8-10-24-11-9-22/h1-2,4-5,15-17H,3,6-12H2,(H,21,23)
InChIKey
HCDPYHLDBBGAFP-UHFFFAOYSA-N
Canonic Smiles
O=C(C1Cc2c(C1C(Cl)Cl)cccc2)NCCCN1CCOCC1
Isomeric Smiles
N1(CCCNC(=O)C2C(c3c(cccc3)C2)C(Cl)Cl)CCOCC1
Calculated Properties
JChem
Acid pKa
13.985902
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.80458444
LogD (pH = 7.4)
2.171087
Log P
2.3177488
Molar Refractivity
98.4176
Polarizability
38.071415
Polar Surface Area
41.57
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
References
Bioactivity
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