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Chemical ID: 7723490
Chemical ID:
7723490
Name [?]:
None
SMILES [?]:
Cn1c2c(cc(cc2Cl)Cl)sc1=NC(=O)c3cc4ccccc4oc3=O
InChi [?]:
InChI=1/C18H10Cl2N2O3S/c1-22-15-12(20)7-10(19)8-14(15)26-18(22)21-16(23)11-6-9-4-2-3-5-13(9)25-17(11)24/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,20,21,19,22,17,7,5,18,6,16,8,23,4,3,14,25,12,10,9,13,2,15,26,24,11/rA:26nCNCCCCCCClClSCNCOCCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;s4;s2s11;w12;s13;d14;s14;d16;s17;s18;d19;s20;d21;d18s22;s23;s16s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H10Cl2N2O3S |
All Atoms: | 36 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.8619 |
Area: | 569.182 |
Solvation: | -3.3677 |
Coulombic: | -42.8804 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.76 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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