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Chemical ID: 5458662
Chemical ID:
5458662
Name [?]:
3-(3,4-dichlorophenyl)amino-1-(4-methoxyphenyl)-pyrrolidine-2,5-dione
SMILES [?]:
COc1ccc(cc1)N2C(=O)CC(C2=O)Nc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C17H14Cl2N2O3/c1-24-12-5-3-11(4-6-12)21-16(22)9-15(17(21)23)20-10-2-7-13(18)14(19)8-10/h2-8,15,20H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,5,7,4,8,19,22,12,17,6,3,20,21,13,10,14,24,23,16,9,11,15,2/E:(3,4)(5,6)/rA:24cCOCCCCCCNCOCCCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s9s13;d14;s13;s16;s17;d18;s19;d20;d17s21;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14Cl2N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.98582 |
Area: | 554.309 |
Solvation: | -4.87189 |
Coulombic: | -43.1347 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 365.21 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.73 |
LogP (Chemaxon): | 3.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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