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Chemical ID: 7676351
Chemical ID:
7676351
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)C(=S)NCCNC(=S)c2ccc(cc2)OC
InChi [?]:
InChI=1/C18H20N2O2S2/c1-21-15-7-3-13(4-8-15)17(23)19-11-12-20-18(24)14-5-9-16(22-2)10-6-14/h3-10H,11-12H2,1-2H3,(H,19,23)(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,24,5,7,18,22,4,8,19,21,12,13,6,17,3,20,9,15,11,14,2,23,10,16/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/gE:(1,2)/rA:24nCOCCCCCCCSNCCNCSCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2O2S2 |
All Atoms: | 44 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.12 |
Area: | 604.447 |
Solvation: | -3.99119 |
Coulombic: | -41.6118 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.5 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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