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Chemical ID: 4501456
Chemical ID:
4501456
Name [?]:
None
SMILES [?]:
CSc1nc(c2c3c(sc2n1)CCC3)N4CCCC4
InChi [?]:
InChI=1/C14H17N3S2/c1-18-14-15-12(17-7-2-3-8-17)11-9-5-4-6-10(9)19-13(11)16-14/h2-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,18,13,14,12,16,19,7,8,6,5,10,3,4,11,15,2,9/E:(2,3)(7,8)/rA:19nCSCNCCCCSCNCCCNCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d6s9;d3s10;s8;s12;s7s13;s5;s15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17N3S2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4951 |
Area: | 457.57 |
Solvation: | -0.94413 |
Coulombic: | -20.4302 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 291.437 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.67 |
LogP (Chemaxon): | 4.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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