Chemical ID: 6875172

Cc1ccc(cc1C)c2csc3c2c4nnc(n4cn3)c5ccccc5
Chemical ID:
6875172
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1C)c2csc3c2c4nnc(n4cn3)c5ccccc5
InChi [?]:
InChI=1/C21H16N4S/c1-13-8-9-16(10-14(13)2)17-11-26-21-18(17)20-24-23-19(25(20)12-22-21)15-6-4-3-5-7-15/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,24,23,25,22,26,3,4,6,10,19,2,7,21,5,9,13,17,14,12,20,16,15,18,11/E:(4,5)(6,7)/rA:26nCCCCCCCCCCSCCCNNCNCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;s11;s9d12;s13;d14;s15;d16;s14s17;s18;s12d19;s17;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16N4S
All Atoms:42
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.7195
Area:543.266
Solvation:-1.86212
Coulombic:-19.5565
Bond Count [?]
All:30
Single:19
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:356.445
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:6.61
LogP (Chemaxon):5.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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