Chemical ID: 4286259

CC(C)COc1ccc2c(c1)c3c([nH]2)C(=O)CCC3
Chemical ID:
4286259
Name [?]:
6-isobutoxy-2,3,4,9-tetrahydrocarbazol-1-one
SMILES [?]:
CC(C)COc1ccc2c(c1)c3c([nH]2)C(=O)CCC3
InChi [?]:
InChI=1/C16H19NO2/c1-10(2)9-19-11-6-7-14-13(8-11)12-4-3-5-15(18)16(12)17-14/h6-8,10,17H,3-5,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,18,19,17,7,8,11,4,2,6,12,10,9,15,13,14,16,5/E:(1,2)/rA:19nCCCCOCCCCCCCCNCOCCC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s10;d12;s9s13;s13;d15;s15;s17;s12s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19NO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.24386
Area:453.124
Solvation:-3.08423
Coulombic:-27.0368
Bond Count [?]
All:21
Single:16
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:257.328
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.97
LogP (Chemaxon):3.07

Name Annotations

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Descriptor Annotations

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