Chemical ID: 4725727

CCOC(=O)C1=C(C2C=C(C=CC2N=C1)C)OCC#N
Chemical ID:
4725727
Name [?]:
ethyl 4-(cyanomethoxy)-6-methyl-4a,8a-dihydroquinoline-3-carboxylate
SMILES [?]:
CCOC(=O)C1=C(C2C=C(C=CC2N=C1)C)OCC#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H16N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:7.80883
Area:483.775
Solvation:-4.28556
Coulombic:-35.353
Bond Count [?]
All:21
Single:15
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:272.299
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.98
LogP (Chemaxon):-0.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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