Chemical ID: 4261495

c1ccc(cc1)C=CC(=O)c2ccc(cc2)c3ccccc3
Chemical ID:
4261495
Name [?]:
3-phenyl-1-(4-phenylphenyl)-prop-2-en-1-one
SMILES [?]:
c1ccc(cc1)C=CC(=O)c2ccc(cc2)c3ccccc3
InChi [?]:
InChI=1/C21H16O/c22-21(16-11-17-7-3-1-4-8-17)20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1-16H
InChi Info:
AuxInfo=1/0/N:1,20,2,6,19,21,3,5,18,22,7,13,15,12,16,8,4,17,14,11,9,10/E:(3,4)(5,6)(7,8)(9,10)(12,13)(14,15)/rA:22nCCCCCCCCCOCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.96907
Area:495.955
Solvation:-2.42981
Coulombic:-13.137
Bond Count [?]
All:24
Single:13
Double:11
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:284.351
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.79
LogP (Chemaxon):5.7

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