Chemical ID: 4493307

Cc1c(cc(o1)c2ccccc2)C(=O)Nc3cccc(c3)C(=O)O
Chemical ID:
4493307
Name [?]:
3-[(2-methyl-5-phenyl-3-furyl)carbonylamino]benzoic acid
SMILES [?]:
Cc1c(cc(o1)c2ccccc2)C(=O)Nc3cccc(c3)C(=O)O
InChi [?]:
InChI=1/C19H15NO4/c1-12-16(11-17(24-12)13-6-3-2-4-7-13)18(21)20-15-9-5-8-14(10-15)19(22)23/h2-11H,1H3,(H,20,21)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,10,9,11,18,8,12,19,17,21,4,2,7,20,16,3,5,13,22,15,14,23,24,6/E:(3,4)(6,7)(22,23)/rA:24nCCCCCOCCCCCCCONCCCCCCCOO/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s9;d10;d7s11;s3;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15NO4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.94129
Area:537.475
Solvation:-3.4956
Coulombic:-57.0726
Bond Count [?]
All:26
Single:16
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:321.327
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.4
LogP (Chemaxon):3.27

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