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Chemical ID: 4261495
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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