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Chemical ID: 5587542
Chemical ID:
5587542
Name [?]:
N-(benzylideneaminocarbamoylmethyl)furan-2-carboxamide
SMILES [?]:
c1ccc(cc1)C=NNC(=O)CNC(=O)c2ccco2
InChi [?]:
InChI=1/C14H13N3O3/c18-13(10-15-14(19)12-7-4-8-20-12)17-16-9-11-5-2-1-3-6-11/h1-9H,10H2,(H,15,19)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,3,5,17,19,7,12,4,16,10,14,13,8,9,11,15,20/E:(2,3)(5,6)/rA:20nCCCCCCCNNCOCNCOCCCCO/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;s12;s13;d14;s14;d16;s17;d18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13N3O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.7009 |
Area: | 486.405 |
Solvation: | -4.45923 |
Coulombic: | -49.0121 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 271.271 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.87 |
LogP (Chemaxon): | 1.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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