Chemical ID: 6913561

COc1cc(ccc1OCc2ccc(o2)C(=O)O)C#N
Chemical ID:
6913561
Name [?]:
5-[(4-cyano-2-methoxy-phenoxy)methyl]furan-2-carboxylic acid
SMILES [?]:
COc1cc(ccc1OCc2ccc(o2)C(=O)O)C#N
InChi [?]:
InChI=1/C14H11NO5/c1-18-13-6-9(7-15)2-4-11(13)19-8-10-3-5-12(20-10)14(16)17/h2-6H,8H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,6,12,7,13,4,19,10,5,11,8,14,3,16,20,17,18,2,9,15/E:(16,17)/rA:20nCOCCCCCCOCCCCCOCOOCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s12;d13;s11s14;s14;d16;s16;s5;t19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11NO5
All Atoms:31
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:5.66404
Area:485.541
Solvation:-6.47449
Coulombic:-52.6624
Bond Count [?]
All:21
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:273.241
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.34
LogP (Chemaxon):1.36

Name Annotations

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Descriptor Annotations

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