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Chemical ID: 6698195
Chemical ID:
6698195
Name [?]:
2-hydroxy-N-(1H-pyridin-5-ylmethyl)benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NCc2ccc[nH+]c2)O
InChi [?]:
InChI=1/C13H12N2O2/c16-12-6-2-1-5-11(12)13(17)15-9-10-4-3-7-14-8-10/h1-8,16H,9H2,(H,15,17)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,13,12,6,3,14,16,10,11,5,4,7,15,9,17,8/rA:17nCCCCCCCONCCCCCN+CO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s4;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13N2O2+ |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -26.4633 |
Area: | 418.973 |
Solvation: | -36.9377 |
Coulombic: | -27.6604 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 229.255 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.91 |
LogP (Chemaxon): | 1.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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