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Chemical ID: 6129551
Chemical ID:
6129551
Name [?]:
1-(2-methyl-2,3-dihydrobenzofuran-5-yl)-3-(1-piperidyl)propan-1-one
SMILES [?]:
CC1Cc2cc(ccc2O1)C(=O)CCN3CCCCC3
InChi [?]:
InChI=1/C17H23NO2/c1-13-11-15-12-14(5-6-17(15)20-13)16(19)7-10-18-8-3-2-4-9-18/h5-6,12-13H,2-4,7-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,19,7,8,13,16,20,14,3,5,2,6,4,11,9,15,12,10/E:(3,4)(8,9)/rA:20cCCCCCCCCCOCOCCNCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2s9;s6;d11;s11;s13;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H23NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.07704 |
Area: | 482.483 |
Solvation: | -2.98505 |
Coulombic: | -20.6453 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 273.37 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.63 |
LogP (Chemaxon): | 2.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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