Chemical ID: 6729124

Cc1ccc(cc1C)C(=O)Nc2ccc(c[nH+]2)Br
Chemical ID:
6729124
Name [?]:
N-(5-bromo-1H-pyridin-2-yl)-3,4-dimethyl-benzamide
SMILES [?]:
Cc1ccc(cc1C)C(=O)Nc2ccc(c[nH+]2)Br
InChi [?]:
InChI=1/C14H13BrN2O/c1-9-3-4-11(7-10(9)2)14(18)17-13-6-5-12(15)8-16-13/h3-8H,1-2H3,(H,16,17,18)/p+1
InChi Info:
AuxInfo=1/1/N:1,8,3,4,14,13,6,16,2,7,5,15,12,9,18,17,11,10/rA:18nCCCCCCCCCONCCCCCN+Br/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14BrN2O+
All Atoms:32
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-23.0135
Area:446.061
Solvation:-34.165
Coulombic:-12.6517
Bond Count [?]
All:19
Single:12
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:306.178
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.14
LogP (Chemaxon):4.22

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