Chemical ID: 7302282

c1ccnc(c1)CNC(=O)c2ccc(c(c2)[N+](=O)[O-])Br
Chemical ID:
7302282
Name [?]:
4-bromo-3-nitro-N-(2-pyridylmethyl)benzamide
SMILES [?]:
c1ccnc(c1)CNC(=O)c2ccc(c(c2)[N+](=O)[O-])Br
InChi [?]:
InChI=1/C13H10BrN3O3/c14-11-5-4-9(7-12(11)17(19)20)13(18)16-8-10-3-1-2-6-15-10/h1-7H,8H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,13,3,16,7,11,5,14,15,9,20,4,8,17,10,18,19/E:(19,20)/CRV:17.5/rA:20nCCCNCCCNCOCCCCCCN+OO-Br/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;d17;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10BrN3O3
All Atoms:30
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:3.68749
Area:478.079
Solvation:-8.26448
Coulombic:-36.855
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:336.141
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.54
LogP (Chemaxon):2.3

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Descriptor Annotations

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