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Chemical ID: 7682361
Chemical ID:
7682361
Name [?]:
None
SMILES [?]:
CN(C)c1ccnc2c1c3c(s2)c(=O)n(cn3)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C17H13ClN4OS/c1-21(2)12-7-8-19-16-13(12)14-15(24-16)17(23)22(9-20-14)11-5-3-10(18)4-6-11/h3-9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,20,22,19,23,5,6,16,21,18,4,9,10,11,8,13,24,7,17,2,15,14,12/E:(1,2)(3,4)(5,6)/rA:24nCNCCCCNCCCCSCONCNCCCCCCCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;d10;s8s11;s11;d13;s13;s15;s10d16;s15;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13ClN4OS |
All Atoms: | 37 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.1571 |
Area: | 528.977 |
Solvation: | -3.06732 |
Coulombic: | -32.9526 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.76 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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