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Chemical ID: 4560185
Chemical ID:
4560185
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)c2c3c(cc(n2)C(=O)OC)c4ccccc4[nH]3
InChi [?]:
InChI=1/C20H16N2O2/c1-12-7-9-13(10-8-12)18-19-15(11-17(22-18)20(23)24-2)14-5-3-4-6-16(14)21-19/h3-11,21H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,20,21,19,22,3,7,4,6,11,2,5,18,10,23,12,8,9,14,24,13,15,16/E:(7,8)(9,10)/rA:24nCCCCCCCCCCCCNCOOCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;d8s12;s12;d14;s14;s16;s10;s18;d19;s20;d21;d18s22;s9s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16N2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6486 |
Area: | 521.285 |
Solvation: | -2.38353 |
Coulombic: | -39.736 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 316.353 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.77 |
LogP (Chemaxon): | 5.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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