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Chemical ID: 4336801
Chemical ID:
4336801
Name [?]:
3-(2-benzyloxyphenyl)-1-(4-chlorophenyl)-prop-2-en-1-one
SMILES [?]:
c1ccc(cc1)COc2ccccc2C=CC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C22H17ClO2/c23-20-13-10-18(11-14-20)21(24)15-12-19-8-4-5-9-22(19)25-16-17-6-2-1-3-7-17/h1-15H,16H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,11,3,5,13,10,20,24,15,21,23,16,7,4,19,14,22,17,9,25,18,8/E:(2,3)(6,7)(10,11)(13,14)/rA:25nCCCCCCCOCCCCCCCCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;w15;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17ClO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7528 |
Area: | 572.47 |
Solvation: | -3.55897 |
Coulombic: | -20.5894 |
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: | 6.09 |
LogP (Chemaxon): | 6.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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