Chemical ID: 5154140

Cc1cc(no1)C2C(C(C2(C)O)c3cc(on3)C)O
Chemical ID:
5154140
Name [?]:
1-methyl-2,4-bis(5-methylisoxazol-3-yl)-cyclobutane-1,3-diol
SMILES [?]:
Cc1cc(no1)C2C(C(C2(C)O)c3cc(on3)C)O
InChi [?]:
InChI=1/C13H16N2O4/c1-6-4-8(14-18-6)10-12(16)11(13(10,3)17)9-5-7(2)19-15-9/h4-5,10-12,16-17H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,11,3,14,2,15,4,13,7,9,8,10,5,17,19,12,6,16/E:(1,2)(4,5)(6,7)(8,9)(10,11)(14,15)(18,19)/rA:19cCCCCNOCCCCCOCCCONCO/rB:s1;d2;s3;d4;s2s5;s4;s7;s8;s7s9;s10;s10;s9;s13;d14;s15;d13s16;s15;s8;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16N2O4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:5.08523
Area:437.956
Solvation:-5.86367
Coulombic:-36.7878
Bond Count [?]
All:21
Single:17
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:264.277
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:0.3
LogP (Chemaxon):0.59

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue