Chemical ID: 6341813

CCc1cccc(c1NC(=O)C2C3C=CC(C2C(=O)O)O3)C
Chemical ID:
6341813
Name [?]:
6-[(2-ethyl-6-methyl-phenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-2-ene-5-carboxylic acid
SMILES [?]:
CCc1cccc(c1NC(=O)C2C3C=CC(C2C(=O)O)O3)C
InChi [?]:
InChI=1/C17H19NO4/c1-3-10-6-4-5-9(2)15(10)18-16(19)13-11-7-8-12(22-11)14(13)17(20)21/h4-8,11-14H,3H2,1-2H3,(H,18,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,2,5,6,4,14,15,7,3,13,16,12,17,8,10,18,9,11,19,20,21/E:(20,21)/rA:22cCCCCCCCCNCOCCCCCCCOOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s15;s12s16;s17;d18;s18;s13s16;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19NO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:4
ZAP Information [?]
Total:7.11524
Area:441.909
Solvation:-3.93249
Coulombic:-54.1879
Bond Count [?]
All:24
Single:18
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:301.337
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.5
LogP (Chemaxon):1.35

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