Chemical ID: 6875171

Cc1ccc(cc1C)c2csc3c2c4nnc(n4cn3)c5ccco5
Chemical ID:
6875171
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1C)c2csc3c2c4nnc(n4cn3)c5ccco5
InChi [?]:
InChI=1/C19H14N4OS/c1-11-5-6-13(8-12(11)2)14-9-25-19-16(14)18-22-21-17(23(18)10-20-19)15-4-3-7-24-15/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,23,22,3,4,24,6,10,19,2,7,5,9,21,13,17,14,12,20,16,15,18,25,11/rA:25nCCCCCCCCCCSCCCNNCNCNCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;s11;s9d12;s13;d14;s15;d16;s14s17;s18;s12d19;s17;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14N4OS
All Atoms:39
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.8226
Area:524.263
Solvation:-2.28395
Coulombic:-25.9396
Bond Count [?]
All:29
Single:19
Double:10
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:346.407
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.31
LogP (Chemaxon):4.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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