Chemical ID: 6933754

c1cnccc1CNC(=O)CCBr
Chemical ID:
6933754
Name [?]:
3-bromo-N-(4-pyridylmethyl)propanamide
SMILES [?]:
c1cnccc1CNC(=O)CCBr
InChi [?]:
InChI=1/C9H11BrN2O/c10-4-1-9(13)12-7-8-2-5-11-6-3-8/h2-3,5-6H,1,4,7H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:11,1,5,12,2,4,7,6,9,13,3,8,10/E:(2,3)(5,6)/rA:13nCCNCCCCNCOCCBr/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11BrN2O
All Atoms:24
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.0795
Area:383.614
Solvation:-2.51085
Coulombic:-24.4217
Bond Count [?]
All:13
Single:9
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:243.101
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.1
LogP (Chemaxon):0.51

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