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Chemical ID: 7221836
Chemical ID:
7221836
Name [?]:
None
SMILES [?]:
CS(=O)(=O)N1CCCC(C1)c2nc3c4ccccc4ncn3n2
InChi [?]:
InChI=1/C15H17N5O2S/c1-23(21,22)19-8-4-5-11(9-19)14-17-15-12-6-2-3-7-13(12)16-10-20(15)18-14/h2-3,6-7,10-11H,4-5,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,7,8,15,18,6,10,21,9,14,19,11,13,20,12,23,5,22,3,4,2/E:(21,22)/CRV:23.6/rA:23cCSOONCCCCCCNCCCCCCCNCNN/rB:s1;d2;d2;s2;s5;s6;s7;s8;s5s9;s9;s11;d12;s13;s14;d15;s16;d17;d14s18;s19;d20;s13s21;d11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17N5O2S |
All Atoms: | 40 |
Heavy Atoms: | 23 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.24976 |
Area: | 503.647 |
Solvation: | -3.34142 |
Coulombic: | -21.6465 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 331.394 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.17 |
LogP (Chemaxon): | 1.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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