Chemical ID: 6697772

Cc1ccc(cc1)C(=O)Nc2ccc[nH+]c2
Chemical ID:
6697772
Name [?]:
4-methyl-N-(1H-pyridin-5-yl)benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2ccc[nH+]c2
InChi [?]:
InChI=1/C13H12N2O/c1-10-4-6-11(7-5-10)13(16)15-12-3-2-8-14-9-12/h2-9H,1H3,(H,15,16)/p+1
InChi Info:
AuxInfo=1/1/N:1,13,12,3,7,4,6,14,16,2,5,11,8,15,10,9/E:(4,5)(6,7)/rA:16nCCCCCCCCONCCCCN+C/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13N2O+
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-25.0736
Area:397.041
Solvation:-34.9997
Coulombic:-12.7743
Bond Count [?]
All:17
Single:10
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:213.255
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.18
LogP (Chemaxon):2.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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