Chemical ID: 4537643

CCOC(=O)C(=Cc1cc(ccc1OCCOc2ccccc2C)[N+](=O)[O-])C#N
Chemical ID:
4537643
Name [?]:
ethyl 2-cyano-3-[2-[2-(2-methylphenoxy)ethoxy]-5-nitro-phenyl]-prop-2-enoate
SMILES [?]:
CCOC(=O)C(=Cc1cc(ccc1OCCOc2ccccc2C)[N+](=O)[O-])C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H20N2O6
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:6.06636
Area:650.045
Solvation:-10.1848
Coulombic:-49.4014
Bond Count [?]
All:30
Single:20
Double:9
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:396.393
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:4.24
LogP (Chemaxon):4.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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