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Chemical ID: 5009763
Chemical ID:
5009763
Name [?]:
(4-dimethylaminophenyl)-(4-methoxy-1-naphthyl)-methanone
SMILES [?]:
CN(C)c1ccc(cc1)C(=O)c2ccc(c3c2cccc3)OC
InChi [?]:
InChI=1/C20H19NO2/c1-21(2)15-10-8-14(9-11-15)20(22)18-12-13-19(23-3)17-7-5-4-6-16(17)18/h4-13H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,23,19,20,18,21,6,8,5,9,13,14,7,4,17,16,12,15,10,2,11,22/E:(1,2)(8,9)(10,11)/rA:23nCNCCCCCCCCOCCCCCCCCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;d13;s14;d15;d12s16;s17;d18;s19;s16d20;s15;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.3182 |
Area: | 509.984 |
Solvation: | -3.43141 |
Coulombic: | -24.7388 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 305.37 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.97 |
LogP (Chemaxon): | 4.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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