Chemical ID: 4421887

c1ccc(c(c1)C(=O)NCc2cccnc2)O
Chemical ID:
4421887
Name [?]:
2-hydroxy-N-(3-pyridylmethyl)benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NCc2cccnc2)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)
InChi Info:
AuxInfo=1/1/N:1,2,13,12,6,3,14,16,10,11,5,4,7,15,9,17,8/rA:17nCCCCCCCONCCCCCNCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s4;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12N2O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.86531
Area:418.973
Solvation:-3.60901
Coulombic:-42.4725
Bond Count [?]
All:18
Single:11
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:228.247
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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