Chemical ID: 5031409

c1cc(ccc1NC(=O)C2=C(C3C=CC2O3)C(=O)O)Cl
Chemical ID:
5031409
Name [?]:
5-[(4-chlorophenyl)carbamoyl]-7-oxabicyclo[2.2.1]hepta-2,5-diene-6-carboxylic acid
SMILES [?]:
c1cc(ccc1NC(=O)C2=C(C3C=CC2O3)C(=O)O)Cl
InChi [?]:
InChI=1/C14H10ClNO4/c15-7-1-3-8(4-2-7)16-13(17)11-9-5-6-10(20-9)12(11)14(18)19/h1-6,9-10H,(H,16,17)(H,18,19)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,14,13,3,6,15,12,10,11,8,17,20,7,9,18,19,16/E:(1,2)(3,4)(18,19)/rA:20cCCCCCCNCOCCCCCCOCOOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;d10;s11;s12;d13;s10s14;s12s15;s11;d17;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10ClNO4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:7.05484
Area:460.633
Solvation:-4.46098
Coulombic:-55.5111
Bond Count [?]
All:22
Single:15
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:291.686
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.91
LogP (Chemaxon):1.69

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