Chemical ID: 7458271

Cc1cccc2c1[nH]c3c2OC(CC3=O)(C)C
Chemical ID:
7458271
Name [?]:
None
SMILES [?]:
Cc1cccc2c1[nH]c3c2OC(CC3=O)(C)C
InChi [?]:
InChI=1/C14H15NO2/c1-8-5-4-6-9-11(8)15-12-10(16)7-14(2,3)17-13(9)12/h4-6,15H,7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,17,4,3,5,13,2,6,14,7,9,10,12,8,15,11/E:(2,3)/rA:17nCCCCCCCNCCOCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s6d9;s10;s11;s12;s9s13;d14;s12;s12;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15NO2
All Atoms:32
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.4582
Area:391.747
Solvation:-2.33548
Coulombic:-28.1447
Bond Count [?]
All:19
Single:14
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:229.274
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.99
LogP (Chemaxon):2.12

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Experimental Annotations

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Descriptor Annotations

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