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Chemical ID: 4165168
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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