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Chemical ID: 4559967
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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