Chemical ID: 7689163

c1cc(cc(c1)O)C=C2C(=O)NC(=Nc3ccc(cc3)Cl)S2
Chemical ID:
7689163
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)O)C=C2C(=O)NC(=Nc3ccc(cc3)Cl)S2
InChi [?]:
InChI=1/C16H11ClN2O2S/c17-11-4-6-12(7-5-11)18-16-19-15(21)14(22-16)9-10-2-1-3-13(20)8-10/h1-9,20H,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,19,16,20,4,8,3,18,15,5,9,10,13,21,14,12,7,11,22/E:(4,5)(6,7)/rA:22nCCCCCCOCCCONCNCCCCCCClS/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11ClN2O2S
All Atoms:33
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:9.98014
Area:512.418
Solvation:-2.83031
Coulombic:-45.7363
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.31
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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