Chemical ID: 6497814

c1ccc2c(c1)CC(=O)NC=C2
Chemical ID:
6497814
Name [?]:
4-azabicyclo[5.4.0]undeca-2,8,10,12-tetraen-5-one
SMILES [?]:
c1ccc2c(c1)CC(=O)NC=C2
InChi [?]:
InChI=1/C10H9NO/c12-10-7-9-4-2-1-3-8(9)5-6-11-10/h1-6H,7H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,12,11,7,4,5,8,10,9/rA:12nCCCCCCCCONCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s4d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9NO
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.87983
Area:308.41
Solvation:-1.83042
Coulombic:-20.897
Bond Count [?]
All:13
Single:8
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:159.185
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.37
LogP (Chemaxon):1.17

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Descriptor Annotations

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