Chemical ID: 6623309

CCN1CC(=Cc2ccccc2Cl)C(=O)C(=Cc3ccccc3Cl)C1
Chemical ID:
6623309
Name [?]:
3,5-bis[(2-chlorophenyl)methylene]-1-ethyl-piperidin-4-one
SMILES [?]:
CCN1CC(=Cc2ccccc2Cl)C(=O)C(=Cc3ccccc3Cl)C1
InChi [?]:
InChI=1/C21H19Cl2NO/c1-2-24-13-17(11-15-7-3-5-9-19(15)22)21(25)18(14-24)12-16-8-4-6-10-20(16)23/h3-12H,2,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,20,10,21,8,19,11,22,6,17,4,25,7,18,5,16,12,23,14,13,24,3,15/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(22,23)/rA:25nCCNCCCCCCCCCClCOCCCCCCCCClC/rB:s1;s2;s3;s4;w5;s6;s7;d8;s9;d10;d7s11;s12;s5;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s23;s3s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19Cl2NO
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.6065
Area:561.69
Solvation:-2.43572
Coulombic:-18.0809
Bond Count [?]
All:27
Single:18
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:372.287
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.06
LogP (Chemaxon):5.14

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Descriptor Annotations

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