Chemical ID: 6486555

CN1CC(=Cc2cccc(c2)Cl)C(=O)C(=Cc3cccc(c3)Cl)C1
Chemical ID:
6486555
Name [?]:
3,5-bis[(3-chlorophenyl)methylene]-1-methyl-piperidin-4-one
SMILES [?]:
CN1CC(=Cc2cccc(c2)Cl)C(=O)C(=Cc3cccc(c3)Cl)C1
InChi [?]:
InChI=1/C20H17Cl2NO/c1-23-12-16(8-14-4-2-6-18(21)10-14)20(24)17(13-23)9-15-5-3-7-19(22)11-15/h2-11H,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,19,7,18,9,20,5,16,11,22,3,24,6,17,4,15,10,21,13,12,23,2,14/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(21,22)/rA:24nCNCCCCCCCCCClCOCCCCCCCCClC/rB:s1;s2;s3;w4;s5;s6;d7;s8;d9;d6s10;s10;s4;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s21;s2s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17Cl2NO
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.4409
Area:557.557
Solvation:-2.49808
Coulombic:-17.4873
Bond Count [?]
All:26
Single:17
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:358.261
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.64
LogP (Chemaxon):4.8

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Descriptor Annotations

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