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Chemical ID: 7702833
Chemical ID:
7702833
Name [?]:
None
SMILES [?]:
c1cc(c(c(c1)Cl)C=NNC(=O)C(=O)Nc2cc(ccc2Cl)Cl)Cl
InChi [?]:
InChI=1/C15H9Cl4N3O2/c16-8-4-5-12(19)13(6-8)21-14(23)15(24)22-20-7-9-10(17)2-1-3-11(9)18/h1-7H,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,19,20,17,8,18,4,3,5,21,16,13,11,23,24,7,22,9,15,10,14,12/E:(2,3)(10,11)(17,18)/rA:24nCCCCCCClCNNCOCONCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s5;s4;w8;s9;s10;d11;s11;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H9Cl4N3O2 |
All Atoms: | 33 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.8697 |
Area: | 591.316 |
Solvation: | -2.91321 |
Coulombic: | -45.8432 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.51 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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