Chemical ID: 4721544

c1ccc2c(c1)cc3cc(sc3n2)c4nnc(o4)SCc5ccc(cc5)Cl
Chemical ID:
4721544
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)cc3cc(sc3n2)c4nnc(o4)SCc5ccc(cc5)Cl
InChi [?]:
InChI=1/C20H12ClN3OS2/c21-15-7-5-12(6-8-15)11-26-20-24-23-18(25-20)17-10-14-9-13-3-1-2-4-16(13)22-19(14)27-17/h1-10H,11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,22,26,23,25,7,9,20,21,5,8,24,4,10,14,12,17,27,13,15,16,18,19,11/E:(5,6)(7,8)/rA:27nCCCCCCCCCCSCNCNNCOSCCCCCCCCl/rB:s1;d2;s3;s4;d1s5;d5;s7;s8;d9;s10;d8s11;d4s12;s10;d14;s15;d16;s14s17;s17;s19;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H12ClN3OS2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:13.5856
Area:625.964
Solvation:-2.06346
Coulombic:-24.7752
Bond Count [?]
All:31
Single:20
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:409.914
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:6.27
LogP (Chemaxon):5.97

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Descriptor Annotations

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