Chemical ID: 7746191

c1ccc(c(c1)C2=NN(C(C2)c3cccs3)C(=O)c4ccco4)O
Chemical ID:
7746191
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)C2=NN(C(C2)c3cccs3)C(=O)c4ccco4)O
InChi [?]:
InChI=1/C18H14N2O3S/c21-15-6-2-1-5-12(15)13-11-14(17-8-4-10-24-17)20(19-13)18(22)16-7-3-9-23-16/h1-10,14,21H,11H2
InChi Info:
AuxInfo=1/0/N:1,2,21,14,6,3,20,13,22,15,11,5,7,10,4,19,12,17,8,9,24,18,23,16/rA:24cCCCCCCCNNCCCCCCSCOCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;s7s10;s10;d12;s13;d14;s12s15;s9;d17;s17;d19;s20;d21;s19s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14N2O3S
All Atoms:38
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:7.96196
Area:511.52
Solvation:-4.82603
Coulombic:-40.263
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.82
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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