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Chemical ID: 4947339
Chemical ID:
4947339
Name [?]:
5-diethylamino-1-phenyl-pent-1-en-3-one
SMILES [?]:
CCN(CC)CCC(=O)C=Cc1ccccc1
InChi [?]:
InChI=1/C15H21NO/c1-3-16(4-2)13-12-15(17)11-10-14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,15,14,16,13,17,11,10,7,6,12,8,3,9/E:(1,2)(3,4)(6,7)(8,9)/rA:17nCCNCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.85555 |
Area: | 447.399 |
Solvation: | -2.32943 |
Coulombic: | -14.0471 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 231.333 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.66 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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