Chemical ID: 4940843

c1ccc(cc1)C(=O)C=Cc2ccccc2Br
Chemical ID:
4940843
Name [?]:
3-(2-bromophenyl)-1-phenyl-prop-2-en-1-one
SMILES [?]:
c1ccc(cc1)C(=O)C=Cc2ccccc2Br
InChi [?]:
InChI=1/C15H11BrO/c16-14-9-5-4-6-12(14)10-11-15(17)13-7-2-1-3-8-13/h1-11H
InChi Info:
AuxInfo=1/0/N:1,2,6,13,14,12,3,5,15,10,9,11,4,16,7,17,8/E:(2,3)(7,8)/rA:17nCCCCCCCOCCCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;w9;s10;s11;d12;s13;d14;d11s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11BrO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.53592
Area:416.653
Solvation:-1.8804
Coulombic:-11.9143
Bond Count [?]
All:18
Single:10
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:287.151
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.65
LogP (Chemaxon):4.8

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Descriptor Annotations

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