Chemical ID: 6465749

CC1C(=O)N(c2ccccc2O1)O
Chemical ID:
6465749
Name [?]:
10-hydroxy-8-methyl-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-9-one
SMILES [?]:
CC1C(=O)N(c2ccccc2O1)O
InChi [?]:
InChI=1/C9H9NO3/c1-6-9(11)10(12)7-4-2-3-5-8(7)13-6/h2-6,12H,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,7,10,2,6,11,3,5,4,13,12/rA:13cCCCONCCCCCCOO/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2s11;s5;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9NO3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:5.69425
Area:323.796
Solvation:-2.40066
Coulombic:-34.9014
Bond Count [?]
All:14
Single:10
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:179.173
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.06
LogP (Chemaxon):0.68

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Descriptor Annotations

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