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Chemical ID: 6590201
Chemical ID:
6590201
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2csc3c2c4nnc(n4cn3)c5ccccc5
InChi [?]:
InChI=1/C19H12N4S/c1-3-7-13(8-4-1)15-11-24-19-16(15)18-22-21-17(23(18)12-20-19)14-9-5-2-6-10-14/h1-12H
InChi Info:
AuxInfo=1/0/N:1,22,2,6,21,23,3,5,20,24,8,17,4,19,7,11,15,12,10,18,14,13,16,9/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCCCCCCCSCCCNNCNCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s11;d12;s13;d14;s12s15;s16;s10d17;s15;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H12N4S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7368 |
Area: | 502.472 |
Solvation: | -1.82501 |
Coulombic: | -20.0583 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 328.392 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.74 |
LogP (Chemaxon): | 4.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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