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Chemical ID: 4911820
Chemical ID:
4911820
Name [?]:
None
SMILES [?]:
Cc1c(c2ccccc2c3c1sc(n3)Nc4ccc(cc4)OC)O
InChi [?]:
InChI=1/C19H16N2O2S/c1-11-17(22)15-6-4-3-5-14(15)16-18(11)24-19(21-16)20-12-7-9-13(23-2)10-8-12/h3-10,22H,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,7,6,8,5,17,21,18,20,2,16,19,9,4,10,3,11,13,15,14,24,22,12/E:(7,8)(9,10)/rA:24nCCCCCCCCCCCSCNNCCCCCCOCO/rB:s1;s2;d3;s4;d5;s6;d7;s4s8;d9;d2s10;s11;s12;s10d13;s13;s15;s16;d17;s18;d19;d16s20;s19;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.67465 |
Area: | 517.714 |
Solvation: | -3.26821 |
Coulombic: | -42.6045 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 336.409 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.14 |
LogP (Chemaxon): | 5.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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