Chemical ID: 4165168

Cc1nc2ccccc2c(=O)o1
Chemical ID:
4165168
Name [?]:
9-methyl-8-oxa-10-azabicyclo[4.4.0]deca-2,4,9,11-tetraen-7-one
SMILES [?]:
Cc1nc2ccccc2c(=O)o1
InChi [?]:
InChI=1/C9H7NO2/c1-6-10-8-5-3-2-4-7(8)9(11)12-6/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,5,2,9,4,10,3,11,12/rA:12nCCNCCCCCCCOO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s9;d10;s2s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.25648
Area:311.688
Solvation:-1.53571
Coulombic:-25.0434
Bond Count [?]
All:13
Single:8
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:161.157
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.46
LogP (Chemaxon):1.1

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Descriptor Annotations

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