Chemical ID: 4560185

Cc1ccc(cc1)c2c3c(cc(n2)C(=O)OC)c4ccccc4[nH]3
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

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Descriptor Annotations

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