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Chemical ID: 5763830
Chemical ID:
5763830
Name [?]:
None
SMILES [?]:
CCc1cc2c(cc1OC(=O)C)oc3cn4ccccc4c3c2=O
InChi [?]:
InChI=1/C19H15NO4/c1-3-12-8-13-16(9-15(12)23-11(2)21)24-17-10-20-7-5-4-6-14(20)18(17)19(13)22/h4-10H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,19,18,20,17,4,7,15,10,3,5,21,8,6,14,22,23,16,11,24,9,13/rA:24nCCCCCCCCOCOCOCCNCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s6;s13;d14;s15;s16;d17;s18;d19;s16s20;s14d21;s5s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15NO4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.58712 |
Area: | 504.902 |
Solvation: | -3.03543 |
Coulombic: | -39.1881 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 321.327 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.27 |
LogP (Chemaxon): | 4.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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