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Chemical ID: 3992335
Chemical ID:
3992335
Name [?]:
None
SMILES [?]:
c1nc(c2c3c(sc2n1)CCCC3)N
InChi [?]:
InChI=1/C10H11N3S/c11-9-8-6-3-1-2-4-7(6)14-10(8)13-5-12-9/h5H,1-4H2,(H2,11,12,13)
InChi Info:
AuxInfo=1/1/N:12,11,13,10,1,5,6,4,3,8,14,2,9,7/rA:14nCNCCCCSCNCCCCN/rB:s1;d2;s3;s4;d5;s6;d4s7;d1s8;s6;s10;s11;s5s12;s3;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11N3S |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.48201 |
Area: | 347.639 |
Solvation: | -1.20895 |
Coulombic: | -27.7077 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 205.281 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 0.88 |
LogP (Chemaxon): | 2.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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