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Chemical ID: 7153795
Chemical ID:
7153795
Name [?]:
morpholino-(1,3,5-trimethylpyrazol-4-yl)-methanone
SMILES [?]:
Cc1c(c(n(n1)C)C)C(=O)N2CCOCC2
InChi [?]:
InChI=1/C11H17N3O2/c1-8-10(9(2)13(3)12-8)11(15)14-4-6-16-7-5-14/h4-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,7,12,16,13,15,2,4,3,9,6,5,11,10,14/E:(4,5)(6,7)/rA:16nCCCCNNCCCONCCOCC/rB:s1;s2;d3;s4;d2s5;s5;s4;s3;d9;s9;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17N3O2 |
All Atoms: | 33 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.16741 |
Area: | 394.132 |
Solvation: | -3.68588 |
Coulombic: | -27.6031 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 223.272 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.04 |
LogP (Chemaxon): | -0.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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