Chemical ID: 7455152

c1cc(cc(c1)N(=O)=O)n2c(cc(n2)CC(=O)O)O
Chemical ID:
7455152
Name [?]:
2-[5-hydroxy-1-(3-nitrophenyl)-pyrazol-3-yl]acetic acid
SMILES [?]:
c1cc(cc(c1)N(=O)=O)n2c(cc(n2)CC(=O)O)O
InChi [?]:
InChI=1/C11H9N3O5/c15-10-4-7(5-11(16)17)12-13(10)8-2-1-3-9(6-8)14(18)19/h1-4,6,15H,5H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,15,4,13,3,5,11,16,14,10,7,19,17,18,8,9/E:(16,17)(18,19)/CRV:14.5/rA:19nCCCCCCNOONCCCNCCOOO/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s3;s10;d11;s12;s10d13;s13;s15;d16;s16;s11;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9N3O5
All Atoms:28
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:1.95393
Area:443.241
Solvation:-9.12708
Coulombic:-56.7964
Bond Count [?]
All:20
Single:12
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:263.206
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.49
LogP (Chemaxon):1.47

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