Chemical ID: 4734045

c1ccc2cc(ccc2c1)C=CC(=O)c3cccc(c3)Br
Chemical ID:
4734045
Name [?]:
1-(3-bromophenyl)-3-(2-naphthyl)prop-2-en-1-one
SMILES [?]:
c1ccc2cc(ccc2c1)C=CC(=O)c3cccc(c3)Br
InChi [?]:
InChI=1/C19H13BrO/c20-18-7-3-6-17(13-18)19(21)11-9-14-8-10-15-4-1-2-5-16(15)12-14/h1-13H
InChi Info:
AuxInfo=1/0/N:1,2,17,10,3,16,18,7,11,8,12,5,20,6,9,4,15,19,13,21,14/rA:21nCCCCCCCCCCCCCOCCCCCCBr/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H13BrO
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.69815
Area:481.381
Solvation:-2.33637
Coulombic:-11.9978
Bond Count [?]
All:23
Single:13
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:337.21
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.91
LogP (Chemaxon):5.81

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