Chemical ID: 7146138

c1cc(ccc1C(=O)O)Nc2ccc(cn2)N
Chemical ID:
7146138
Name [?]:
4-[(5-amino-2-pyridyl)amino]benzoic acid
SMILES [?]:
c1cc(ccc1C(=O)O)Nc2ccc(cn2)N
InChi [?]:
InChI=1/C12H11N3O2/c13-9-3-6-11(14-7-9)15-10-4-1-8(2-5-10)12(16)17/h1-7H,13H2,(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,5,13,2,4,12,15,6,14,3,11,7,17,16,10,8,9/E:(1,2)(4,5)(16,17)/rA:17nCCCCCCCOONCCCCCNN/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11N3O2
All Atoms:28
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.69623
Area:410.169
Solvation:-2.55799
Coulombic:-60.2679
Bond Count [?]
All:18
Single:11
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:229.235
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:1.51
LogP (Chemaxon):0.04

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