Chemical ID: 4284517

COc1cnn(c(=O)c1O)C2CCCCC2
Chemical ID:
4284517
Name [?]:
2-cyclohexyl-4-hydroxy-5-methoxy-pyridazin-3-one
SMILES [?]:
COc1cnn(c(=O)c1O)C2CCCCC2
InChi [?]:
InChI=1/C11H16N2O3/c1-16-9-7-12-13(11(15)10(9)14)8-5-3-2-4-6-8/h7-8,14H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,16,4,11,3,9,7,5,6,10,8,2/E:(3,4)(5,6)/rA:16nCOCCNNCOCOCCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;d3s7;s9;s6;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16N2O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.79592
Area:394.063
Solvation:-3.05565
Coulombic:-41.2333
Bond Count [?]
All:17
Single:14
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:224.256
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.61
LogP (Chemaxon):0.86

Name Annotations

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Descriptor Annotations

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