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Chemical ID: 6116653
Chemical ID:
6116653
Name [?]:
None
SMILES [?]:
c1cc(ccc1Cc2cc3c(ccs3)c4ccsc4c2=O)Cl
InChi [?]:
InChI=1/C18H11ClOS2/c19-13-3-1-11(2-4-13)9-12-10-16-14(5-7-21-16)15-6-8-22-18(15)17(12)20/h1-8,10H,9H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,12,16,13,17,7,9,6,8,3,11,15,10,20,19,22,21,14,18/E:(1,2)(3,4)/rA:22nCCCCCCCCCCCCCSCCCSCCOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s11;d12;s10s13;s11;s15;d16;s17;d15s18;s8s19;d20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H11ClOS2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.709 |
Area: | 508.78 |
Solvation: | -2.01049 |
Coulombic: | -12.3961 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 342.864 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.95 |
LogP (Chemaxon): | 6.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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