Chemical ID: 4418098

COC(=O)c1ccc(o1)CNc2ccccc2
Chemical ID:
4418098
Name [?]:
methyl 5-(anilinomethyl)furan-2-carboxylate
SMILES [?]:
COC(=O)c1ccc(o1)CNc2ccccc2
InChi [?]:
InChI=1/C13H13NO3/c1-16-13(15)12-8-7-11(17-12)9-14-10-5-3-2-4-6-10/h2-8,14H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,17,7,6,10,12,8,5,3,11,4,2,9/E:(3,4)(5,6)/rA:17nCOCOCCCCOCNCCCCCC/rB:s1;s2;d3;s3;d5;s6;d7;s5s8;s8;s10;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.83318
Area:435.091
Solvation:-3.0441
Coulombic:-40.8779
Bond Count [?]
All:18
Single:12
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:231.247
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.02
LogP (Chemaxon):1.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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