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Chemical ID: 4151821
Chemical ID:
4151821
Name [?]:
3-chloro-1-(3-chlorophenyl)-4-(4-methylpiperazin-1-yl)-pyrrole-2,5-dione
SMILES [?]:
CN1CCN(CC1)C2=C(C(=O)N(C2=O)c3cccc(c3)Cl)Cl
InChi [?]:
InChI=1/C15H15Cl2N3O2/c1-18-5-7-19(8-6-18)13-12(17)14(21)20(15(13)22)11-4-2-3-10(16)9-11/h2-4,9H,5-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,18,16,3,7,4,6,20,19,15,9,8,10,13,21,22,2,5,12,11,14/E:(5,6)(7,8)/rA:22nCNCCNCCCCCONCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s9;d10;s10;s8s12;d13;s12;s15;d16;s17;d18;d15s19;s19;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15Cl2N3O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4014 |
Area: | 507.786 |
Solvation: | -2.29329 |
Coulombic: | -39.2876 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 340.204 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.37 |
LogP (Chemaxon): | 1.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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