Chemical ID: 5670598

c1ccc(cc1)c2ccc(cc2)C(=O)C=Cc3ccccc3Cl
Chemical ID:
5670598
Name [?]:
3-(2-chlorophenyl)-1-(4-phenylphenyl)-prop-2-en-1-one
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)C(=O)C=Cc3ccccc3Cl
InChi [?]:
InChI=1/C21H15ClO/c22-20-9-5-4-8-18(20)14-15-21(23)19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-15H
InChi Info:
AuxInfo=1/0/N:1,2,6,19,20,3,5,18,21,8,12,9,11,16,15,4,7,17,10,22,13,23,14/E:(2,3)(6,7)(10,11)(12,13)/rA:23nCCCCCCCCCCCCCOCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15ClO
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.8645
Area:524.191
Solvation:-2.24033
Coulombic:-13.7232
Bond Count [?]
All:25
Single:14
Double:11
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:318.796
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.41
LogP (Chemaxon):6.22

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Descriptor Annotations

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