Molecule

ID:126233

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄Cl₂N₂O
Molecular Mass
355.30196
Exact Mass
354.12656876
Charge
0
InChI
InChI=1S/C18H24Cl2N2O/c19-16-7-6-14(11-17(16)20)12-18(23)22-10-2-1-5-15(22)13-21-8-3-4-9-21/h6-7,11,15H,1-5,8-10,12-13H2/t15-/m0/s1
InChIKey
GHCCBWMZKJQGLS-HNNXBMFYSA-N
Canonic Smiles
O=C(N1CCCC[C@H]1CN1CCCC1)Cc1ccc(c(c1)Cl)Cl
Isomeric Smiles
C1CCN([C@@H](C1)CN1CCCC1)C(=O)Cc1cc(c(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.5262375
LogD (pH = 7.4)
2.0454557
Log P
3.794068
Molar Refractivity
95.9631
Polarizability
37.469936
Polar Surface Area
23.55
Rotatable Bonds
4
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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