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Chemical ID: 7723284
Chemical ID:
7723284
Name [?]:
None
SMILES [?]:
CC(=O)c1ccc(cc1)C(=O)Nc2nc3c(s2)cc(cc3Cl)Cl
InChi [?]:
InChI=1/C16H10Cl2N2O2S/c1-8(21)9-2-4-10(5-3-9)15(22)20-16-19-14-12(18)6-11(17)7-13(14)23-16/h2-7H,1H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,5,9,6,8,20,18,2,4,7,19,21,16,15,10,13,23,22,14,12,3,11,17/E:(2,3)(4,5)/rA:23nCCOCCCCCCCONCNCCSCCCCClCl/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;d13;s14;s15;s13s16;d16;s18;d19;d15s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10Cl2N2O2S |
All Atoms: | 33 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.0924 |
Area: | 553.061 |
Solvation: | -3.73412 |
Coulombic: | -35.0581 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.99 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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