Chemical ID: 7088099

c1ccc(cc1)C(=O)C=Cc2ccc(cc2Cl)F
Chemical ID:
7088099
Name [?]:
3-(2-chloro-4-fluoro-phenyl)-1-phenyl-prop-2-en-1-one
SMILES [?]:
c1ccc(cc1)C(=O)C=Cc2ccc(cc2Cl)F
InChi [?]:
InChI=1/C15H10ClFO/c16-14-10-13(17)8-6-11(14)7-9-15(18)12-4-2-1-3-5-12/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,12,10,13,9,15,11,4,14,16,7,17,18,8/E:(2,3)(4,5)/rA:18nCCCCCCCOCCCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;w9;s10;s11;d12;s13;d14;d11s15;s16;s14;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10ClFO
All Atoms:28
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.31701
Area:446.811
Solvation:-2.85327
Coulombic:-15.0655
Bond Count [?]
All:19
Single:11
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:260.69
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.63
LogP (Chemaxon):4.67

Name Annotations

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Descriptor Annotations

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