Chemical ID: 4514895

c1ccc(cc1)c2nccn2C(=O)c3cc(ccc3C(=O)O)C(=O)O
Chemical ID:
4514895
Name [?]:
2-(2-phenylimidazol-1-yl)carbonylterephthalic acid
SMILES [?]:
c1ccc(cc1)c2nccn2C(=O)c3cc(ccc3C(=O)O)C(=O)O
InChi [?]:
InChI=1/C18H12N2O5/c21-16(14-10-12(17(22)23)6-7-13(14)18(24)25)20-9-8-19-15(20)11-4-2-1-3-5-11/h1-10H,(H,22,23)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,17,18,9,10,15,4,16,19,14,7,12,23,20,8,11,13,24,25,21,22/E:(2,3)(4,5)(22,23)(24,25)/rA:25nCCCCCCCNCCNCOCCCCCCCOOCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d20;s20;s16;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12N2O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.12362
Area:480.995
Solvation:-3.90126
Coulombic:-76.7872
Bond Count [?]
All:27
Single:16
Double:11
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:336.298
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.23
LogP (Chemaxon):1.93

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