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Chemical ID: 7723492
Chemical ID:
7723492
Name [?]:
None
SMILES [?]:
Cc1ccc(c2c1n(c(=NC(=O)c3cc4ccccc4oc3=O)s2)C)C
InChi [?]:
InChI=1/C20H16N2O3S/c1-11-8-9-12(2)17-16(11)22(3)20(26-17)21-18(23)14-10-13-6-4-5-7-15(13)25-19(14)24/h4-10H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,25,17,18,16,19,3,4,14,2,5,15,13,20,7,6,11,22,9,10,8,12,23,21,24/rA:26nCCCCCCCNCNCOCCCCCCCCOCOSCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;w9;s10;d11;s11;d13;s14;s15;d16;s17;d18;d15s19;s20;s13s21;d22;s6s9;s8;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16N2O3S |
All Atoms: | 42 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.1462 |
Area: | 546.277 |
Solvation: | -3.51077 |
Coulombic: | -42.5032 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.97 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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