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Chemical ID: 4164255
Chemical ID:
4164255
Name [?]:
4-anilino-5H-furan-2-one
SMILES [?]:
c1ccc(cc1)NC2=CC(=O)OC2
InChi [?]:
InChI=1/C10H9NO2/c12-10-6-9(7-13-10)11-8-4-2-1-3-5-8/h1-6,11H,7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,9,13,4,8,10,7,11,12/E:(2,3)(4,5)/rA:13nCCCCCCNCCCOOC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s10;s8s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.92787 |
Area: | 338.738 |
Solvation: | -2.54059 |
Coulombic: | -30.2903 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 175.184 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.51 |
LogP (Chemaxon): | 0.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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