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Chemical ID: 6732129
Chemical ID:
6732129
Name [?]:
(2,4-dimethoxyphenyl)-(4-dimethylaminophenyl)-methanone
SMILES [?]:
CN(C)c1ccc(cc1)C(=O)c2ccc(cc2OC)OC
InChi [?]:
InChI=1/C17H19NO3/c1-18(2)13-7-5-12(6-8-13)17(19)15-10-9-14(20-3)11-16(15)21-4/h5-11H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,21,19,6,8,5,9,14,13,16,7,4,15,12,17,10,2,11,20,18/E:(1,2)(5,6)(7,8)/rA:21nCNCCCCCCCCOCCCCCCOCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO3 |
All Atoms: | 40 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.70463 |
Area: | 490.475 |
Solvation: | -4.55723 |
Coulombic: | -30.0412 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 285.338 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.61 |
LogP (Chemaxon): | 3.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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