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Chemical ID: 5433620
Chemical ID:
5433620
Name [?]:
N-(4-fluoro-2-methyl-phenyl)-4-oxo-chromene-3-carboxamide
SMILES [?]:
Cc1cc(ccc1NC(=O)c2coc3ccccc3c2=O)F
InChi [?]:
InChI=1/C17H12FNO3/c1-10-8-11(18)6-7-14(10)19-17(21)13-9-22-15-5-3-2-4-12(15)16(13)20/h2-9H,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,5,6,3,12,2,4,19,11,7,14,20,9,22,8,21,10,13/rA:22nCCCCCCCNCOCCOCCCCCCCOF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s12;s13;s14;d15;s16;d17;d14s18;s11s19;d20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12FNO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.20829 |
Area: | 466.939 |
Solvation: | -4.4652 |
Coulombic: | -39.6201 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 297.281 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.95 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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