Chemical ID: 4714438

c1ccc2c(c1)nc(c(=O)o2)N
Chemical ID:
4714438
Name [?]:
4-amino-2-oxa-5-azabicyclo[4.4.0]deca-4,7,9,11-tetraen-3-one
SMILES [?]:
c1ccc2c(c1)nc(c(=O)o2)N
InChi [?]:
InChI=1/C8H6N2O2/c9-7-8(11)12-6-4-2-1-3-5(6)10-7/h1-4H,(H2,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,8,9,12,7,10,11/rA:12nCCCCCCNCCOON/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s4s9;s8;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6N2O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.14953
Area:307.577
Solvation:-1.53989
Coulombic:-44.3718
Bond Count [?]
All:13
Single:8
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:162.146
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:0.85
LogP (Chemaxon):1.12

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