Chemical ID: 7706221

c1cc(oc1)c2cn3c(n2)sc(n3)c4ccco4
Chemical ID:
7706221
Name [?]:
None
SMILES [?]:
c1cc(oc1)c2cn3c(n2)sc(n3)c4ccco4
InChi [?]:
InChI=1/C12H7N3O2S/c1-3-9(16-5-1)8-7-15-12(13-8)18-11(14-15)10-4-2-6-17-10/h1-7H
InChi Info:
AuxInfo=1/0/N:1,16,2,15,5,17,7,6,3,14,12,9,10,13,8,4,18,11/rA:18nCCCOCCCNCNSCNCCCCO/rB:s1;d2;s3;d1s4;s3;d6;s7;s8;s6d9;s9;s11;s8d12;s12;d14;s15;d16;s14s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H7N3O2S
All Atoms:25
Heavy Atoms:18
Chiral Atoms:None
ZAP Information [?]
Total:7.63969
Area:434.156
Solvation:-3.2142
Coulombic:-26.7054
Bond Count [?]
All:21
Single:14
Double:7
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.66
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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