Chemical ID: 4560457

COc1ccc(cc1)c2c3c(cc(n2)C(=O)OC)c4ccccc4[nH]3
Chemical ID:
4560457
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)c2c3c(cc(n2)C(=O)OC)c4ccccc4[nH]3
InChi [?]:
InChI=1/C20H16N2O3/c1-24-13-9-7-12(8-10-13)18-19-15(11-17(22-18)20(23)25-2)14-5-3-4-6-16(14)21-19/h3-11,21H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,21,22,20,23,5,7,4,8,12,6,3,19,11,24,13,9,10,15,25,14,16,2,17/E:(7,8)(9,10)/rA:25nCOCCCCCCCCCCCNCOOCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;d9s13;s13;d15;s15;s17;s11;s19;d20;s21;d22;d19s23;s10s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16N2O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.67308
Area:534.142
Solvation:-3.68048
Coulombic:-46.1711
Bond Count [?]
All:28
Single:18
Double:10
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:332.353
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.25
LogP (Chemaxon):4.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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