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Chemical ID: 5345945
Chemical ID:
5345945
Name [?]:
N-(3-amino-4-methoxy-phenyl)-5-(hydroxymethyl)furan-2-carboxamide
SMILES [?]:
COc1ccc(cc1N)NC(=O)c2ccc(o2)CO
InChi [?]:
InChI=1/C13H14N2O4/c1-18-11-4-2-8(6-10(11)14)15-13(17)12-5-3-9(7-16)19-12/h2-6,16H,7,14H2,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,5,15,4,14,7,18,6,16,8,3,13,11,9,10,19,12,2,17/rA:19nCOCCCCCCNNCOCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;s10;d11;s11;d13;s14;d15;s13s16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N2O4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.46199 |
Area: | 459.344 |
Solvation: | -5.02162 |
Coulombic: | -69.6302 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 262.261 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | -0.01 |
LogP (Chemaxon): | 0.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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