Chemical ID: 5153304

CC1=CC(=O)Nc2c(cccn2)O1
Chemical ID:
5153304
Name [?]:
5-methyl-6-oxa-2,11-diazabicyclo[5.4.0]undeca-4,7,9,11-tetraen-3-one
SMILES [?]:
CC1=CC(=O)Nc2c(cccn2)O1
InChi [?]:
InChI=1/C9H8N2O2/c1-6-5-8(12)11-9-7(13-6)3-2-4-10-9/h2-5H,1H3,(H,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,10,9,11,3,2,8,4,7,12,6,5,13/rA:13nCCCCONCCCCCNO/rB:s1;d2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s2s8;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8N2O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.45602
Area:323.394
Solvation:-2.62883
Coulombic:-32.7254
Bond Count [?]
All:14
Single:9
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:176.172
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.81
LogP (Chemaxon):0.29

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