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Chemical ID: 6493190
Chemical ID:
6493190
Name [?]:
3,5-bis[(2,4-dichlorophenyl)methylene]-1-propyl-piperidin-4-one
SMILES [?]:
CCCN1CC(=Cc2ccc(cc2Cl)Cl)C(=O)C(=Cc3ccc(cc3Cl)Cl)C1
InChi [?]:
InChI=1/C22H19Cl4NO/c1-2-7-27-12-16(8-14-3-5-18(23)10-20(14)25)22(28)17(13-27)9-15-4-6-19(24)11-21(15)26/h3-6,8-11H,2,7,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,21,10,22,3,7,19,12,24,5,28,8,20,6,18,11,23,13,25,16,15,27,14,26,4,17/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(23,24)(25,26)/rA:28nCCCNCCCCCCCCCClClCOCCCCCCCCClClC/rB:s1;s2;s3;s4;s5;w6;s7;s8;d9;s10;d11;d8s12;s13;s11;s6;d16;s16;w18;s19;s20;d21;s22;d23;d20s24;s25;s23;s4s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19Cl4NO |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.0821 |
Area: | 659.028 |
Solvation: | -2.39356 |
Coulombic: | -18.2266 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 455.203 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.66 |
LogP (Chemaxon): | 6.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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