Molecule

ID:128121

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄Cl₂N₂O
Molecular Mass
355.30196
Exact Mass
354.12656876
Charge
0
InChI
InChI=1S/C18H24Cl2N2O/c1-13(2)17(12-22-8-4-5-9-22)21(3)18(23)11-14-6-7-15(19)16(20)10-14/h4-7,10,13,17H,8-9,11-12H2,1-3H3/t17-/m1/s1
InChIKey
QFAIAMMFKKYCTL-QGZVFWFLSA-N
Canonic Smiles
CC([C@H](N(C(=O)Cc1ccc(c(c1)Cl)Cl)C)CN1CC=CC1)C
Isomeric Smiles
CC(C)[C@@H](CN1CC=CC1)N(C)C(=O)Cc1cc(c(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2469591
LogD (pH = 7.4)
2.9948277
Log P
4.1378984
Molar Refractivity
98.3739
Polarizability
37.950047
Polar Surface Area
23.55
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation