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Chemical ID: 7723262
Chemical ID:
7723262
Name [?]:
None
SMILES [?]:
Cc1c(ccc2c1nc(s2)NC(=O)c3cccc(c3)OC)Cl
InChi [?]:
InChI=1/C16H13ClN2O2S/c1-9-12(17)6-7-13-14(9)18-16(22-13)19-15(20)10-4-3-5-11(8-10)21-2/h3-8H,1-2H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,16,15,17,4,5,19,2,14,18,3,6,7,12,9,22,8,11,13,20,10/rA:22nCCCCCCCNCSNCOCCCCCCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s6s9;s9;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13ClN2O2S |
All Atoms: | 35 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.54413 |
Area: | 515.854 |
Solvation: | -3.35221 |
Coulombic: | -35.6583 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.66 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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