Chemical ID: 4476703

c1cc(cc(c1)[N+](=O)[O-])COc2ccc(cc2)C=C(C#N)c3ccc(cc3)Cl
Chemical ID:
4476703
Name [?]:
2-(4-chlorophenyl)-3-[4-[(3-nitrophenyl)methoxy]phenyl]-prop-2-enenitrile
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])COc2ccc(cc2)C=C(C#N)c3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H15ClN2O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:7.52681
Area:638.261
Solvation:-8.42971
Coulombic:-26.5409
Bond Count [?]
All:30
Single:18
Double:11
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:390.819
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.89
LogP (Chemaxon):5.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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