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Chemical ID: 7221756
Chemical ID:
7221756
Name [?]:
(2,6-dimethylmorpholin-4-yl)-(2-methylpyrazol-3-yl)-methanone
SMILES [?]:
CC1CN(CC(O1)C)C(=O)c2ccnn2C
InChi [?]:
InChI=1/C11H17N3O2/c1-8-6-14(7-9(2)16-8)11(15)10-4-5-12-13(10)3/h4-5,8-9H,6-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,16,12,13,3,5,2,6,11,9,14,15,4,10,7/E:(1,2)(6,7)(8,9)/rA:16cCCCNCCOCCOCCCNNC/rB:s1;s2;s3;s4;s5;s2s6;s6;s4;d9;s9;d11;s12;d13;s11s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17N3O2 |
All Atoms: | 33 |
Heavy Atoms: | 16 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.24333 |
Area: | 395.419 |
Solvation: | -3.64213 |
Coulombic: | -28.9062 |
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: | 0.68 |
LogP (Chemaxon): | -0.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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