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Chemical ID: 7739157
Chemical ID:
7739157
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CC(=O)N(Cc2cccnc2)c3nc4ccc(cc4s3)Cl
InChi [?]:
InChI=1/C21H16ClN3OS/c22-17-8-9-18-19(12-17)27-21(24-18)25(14-16-7-4-10-23-13-16)20(26)11-15-5-2-1-3-6-15/h1-10,12-13H,11,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,14,3,5,13,22,21,15,7,24,17,11,4,12,23,20,25,8,18,27,16,19,10,9,26/E:(2,3)(5,6)/rA:27nCCCCCCCCONCCCCCNCCNCCCCCCSCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s10;d18;s19;s20;d21;s22;d23;d20s24;s18s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16ClN3OS |
All Atoms: | 43 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.1731 |
Area: | 593.731 |
Solvation: | -3.6702 |
Coulombic: | -28.2269 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.94 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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