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Chemical ID: 5259596
Chemical ID:
5259596
Name [?]:
None
SMILES [?]:
CN(C)c1c2c(oc(=O)c1Cl)-c3ccccc3SCC2
InChi [?]:
InChI=1/C15H14ClNO2S/c1-17(2)13-10-7-8-20-11-6-4-3-5-9(11)14(10)19-15(18)12(13)16/h3-6H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,14,15,13,16,20,19,12,5,17,10,4,6,8,11,2,9,7,18/E:(1,2)/rA:20nCNCCCCOCOCClCCCCCCSCC/rB:s1;s2;s2;s4;d5;s6;s7;d8;d4s8;s10;s6;s12;d13;s14;d15;d12s16;s17;s18;s5s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14ClNO2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.01567 |
Area: | 443.711 |
Solvation: | -2.0771 |
Coulombic: | -28.0115 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 307.796 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.89 |
LogP (Chemaxon): | 3.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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