Chemical ID: 6689835

c1cc2c(cc1Cl)N(C(=O)CO2)CCC#N
Chemical ID:
6689835
Name [?]:
3-(8-chloro-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-6,8,10-trien-5-yl)propanenitrile
SMILES [?]:
c1cc2c(cc1Cl)N(C(=O)CO2)CCC#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H9ClN2O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.27814
Area:413.26
Solvation:-3.05336
Coulombic:-26.8586
Bond Count [?]
All:17
Single:12
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:236.654
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.07
LogP (Chemaxon):1.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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