Chemical ID: 6129551

CC1Cc2cc(ccc2O1)C(=O)CCN3CCCCC3
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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