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Chemical ID: 4232925
Chemical ID:
4232925
Name [?]:
(4-chlorophenyl)-(4-ethoxyphenyl)-methanone
SMILES [?]:
CCOc1ccc(cc1)C(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H13ClO2/c1-2-18-14-9-5-12(6-10-14)15(17)11-3-7-13(16)8-4-11/h3-10H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,17,6,8,14,16,5,9,12,7,15,4,10,18,11,3/E:(3,4)(5,6)(7,8)(9,10)/rA:18nCCOCCCCCCCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13ClO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.54497 |
Area: | 453.585 |
Solvation: | -2.79464 |
Coulombic: | -18.6036 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 260.715 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.54 |
LogP (Chemaxon): | 3.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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