Chemical ID: 4954697

c1cc(cc(c1)Cl)N=C2CC(N(C2=O)c3cccc(c3)Cl)c4ccc(cc4)Cl
Chemical ID:
4954697
Name [?]:
1-(3-chlorophenyl)-5-(4-chlorophenyl)-3-(3-chlorophenyl)imino-pyrrolidin-2-one
SMILES [?]:
c1cc(cc(c1)Cl)N=C2CC(N(C2=O)c3cccc(c3)Cl)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C22H15Cl3N2O/c23-15-9-7-14(8-10-15)21-13-20(26-18-5-1-3-16(24)11-18)22(28)27(21)19-6-2-4-17(25)12-19/h1-12,21H,13H2
InChi Info:
AuxInfo=1/0/N:1,17,6,18,2,16,23,27,24,26,4,20,10,22,25,5,19,3,15,9,11,13,28,7,21,8,12,14/E:(7,8)(9,10)/rA:28cCCCCCCClNCCCNCOCCCCCCClCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;s10;s11;s9s12;d13;s12;s15;d16;s17;d18;d15s19;s19;s11;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H15Cl3N2O
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:13.0592
Area:628.971
Solvation:-2.66508
Coulombic:-26.6531
Bond Count [?]
All:31
Single:20
Double:11
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:429.725
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.99
LogP (Chemaxon):7.43

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