Chemical ID: 6623308

CN1CC(=Cc2ccc(c(c2)Cl)Cl)C(=O)C(=Cc3ccc(c(c3)Cl)Cl)C1
Chemical ID:
6623308
Name [?]:
3,5-bis[(3,4-dichlorophenyl)methylene]-1-methyl-piperidin-4-one
SMILES [?]:
CN1CC(=Cc2ccc(c(c2)Cl)Cl)C(=O)C(=Cc3ccc(c(c3)Cl)Cl)C1
InChi [?]:
InChI=1/C20H15Cl4NO/c1-25-10-14(6-12-2-4-16(21)18(23)8-12)20(26)15(11-25)7-13-3-5-17(22)19(24)9-13/h2-9H,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,19,8,20,5,17,11,23,3,26,6,18,4,16,9,21,10,22,14,13,25,12,24,2,15/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(21,22)(23,24)/rA:26nCNCCCCCCCCCClClCOCCCCCCCCClClC/rB:s1;s2;s3;w4;s5;s6;d7;s8;d9;d6s10;s10;s9;s4;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s22;s21;s2s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15Cl4NO
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.7255
Area:615.039
Solvation:-2.65048
Coulombic:-17.63
Bond Count [?]
All:28
Single:19
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:427.15
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.88
LogP (Chemaxon):5.83

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Descriptor Annotations

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