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Chemical ID: 5621866
Chemical ID:
5621866
Name [?]:
methyl 3-(2-furylcarbonylamino)benzoate
SMILES [?]:
COC(=O)c1cccc(c1)NC(=O)c2ccco2
InChi [?]:
InChI=1/C13H11NO4/c1-17-13(16)9-4-2-5-10(8-9)14-12(15)11-6-3-7-18-11/h2-8H,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,7,16,6,8,15,17,10,5,9,14,12,3,11,13,4,2,18/rA:18nCOCOCCCCCCNCOCCCCO/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;d14;s15;d16;s14s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11NO4 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.88879 |
Area: | 435.894 |
Solvation: | -3.00855 |
Coulombic: | -49.7445 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 245.231 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.63 |
LogP (Chemaxon): | 1.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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