Chemical ID: 4261687

C=CCCCC(=O)Nc1ccccc1Br
Chemical ID:
4261687
Name [?]:
N-(2-bromophenyl)hex-5-enamide
SMILES [?]:
C=CCCCC(=O)Nc1ccccc1Br
InChi [?]:
InChI=1/C12H14BrNO/c1-2-3-4-9-12(15)14-11-8-6-5-7-10(11)13/h2,5-8H,1,3-4,9H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,12,11,13,10,5,14,9,6,15,8,7/rA:15nCCCCCCONCCCCCCBr/rB:d1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14BrNO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.86054
Area:420.771
Solvation:-1.65874
Coulombic:-22.9588
Bond Count [?]
All:15
Single:10
Double:5
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:268.15
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.67
LogP (Chemaxon):3.12

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