Chemical ID: 6669143

CC=CC(=O)Nc1ccc(cc1)Br
Chemical ID:
6669143
Name [?]:
N-(4-bromophenyl)but-2-enamide
SMILES [?]:
CC=CC(=O)Nc1ccc(cc1)Br
InChi [?]:
InChI=1/C10H10BrNO/c1-2-3-10(13)12-9-6-4-8(11)5-7-9/h2-7H,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,3,9,11,8,12,10,7,4,13,6,5/E:(4,5)(6,7)/rA:13nCCCCONCCCCCCBr/rB:s1;w2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10BrNO
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.55341
Area:364.842
Solvation:-1.56764
Coulombic:-22.3594
Bond Count [?]
All:13
Single:8
Double:5
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:240.097
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.89
LogP (Chemaxon):3.27

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Descriptor Annotations

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