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Chemical ID: 4734045
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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