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Chemical ID: 7146138
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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