Chemical ID: 4559967

COC(=O)c1cc2c3ccccc3[nH]c2c(n1)c4ccccc4
Chemical ID:
4559967
Name [?]:
None
SMILES [?]:
COC(=O)c1cc2c3ccccc3[nH]c2c(n1)c4ccccc4
InChi [?]:
InChI=1/C19H14N2O2/c1-23-19(22)16-11-14-13-9-5-6-10-15(13)20-18(14)17(21-16)12-7-3-2-4-8-12/h2-11,20H,1H3
InChi Info:
AuxInfo=1/0/N:1,21,20,22,10,11,19,23,9,12,6,18,8,7,13,5,16,15,3,14,17,4,2/E:(3,4)(7,8)/rA:23nCOCOCCCCCCCCCNCCNCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;s8;d9;s10;d11;d8s12;s13;s7s14;d15;d5s16;s16;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14N2O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.0594
Area:499.581
Solvation:-2.43009
Coulombic:-39.9925
Bond Count [?]
All:26
Single:16
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:302.327
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.33
LogP (Chemaxon):4.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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