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Chemical ID: 7355931
Chemical ID:
7355931
Name [?]:
(4-chlorophenyl)-(4-cinnamyloxyphenyl)-methanone
SMILES [?]:
c1ccc(cc1)C=CCOc2ccc(cc2)C(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C22H17ClO2/c23-20-12-8-18(9-13-20)22(24)19-10-14-21(15-11-19)25-16-4-7-17-5-2-1-3-6-17/h1-15H,16H2
InChi Info:
AuxInfo=1/0/N:1,2,6,8,3,5,7,20,24,13,15,21,23,12,16,9,4,19,14,22,11,17,25,18,10/E:(2,3)(5,6)(8,9)(10,11)(12,13)(14,15)/rA:25nCCCCCCCCCOCCCCCCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17ClO2 |
All Atoms: | 42 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4567 |
Area: | 590.14 |
Solvation: | -3.29685 |
Coulombic: | -21.325 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 348.822 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.42 |
LogP (Chemaxon): | 5.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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