Chemical ID: 5621866

COC(=O)c1cccc(c1)NC(=O)c2ccco2
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

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Descriptor Annotations

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