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Chemical ID: 7210376
Chemical ID:
7210376
Name [?]:
2-(4-bromo-5-methyl-pyrazol-1-yl)-1-morpholino-propan-1-one
SMILES [?]:
Cc1c(cnn1C(C)C(=O)N2CCOCC2)Br
InChi [?]:
InChI=1/C11H16BrN3O2/c1-8-10(12)7-13-15(8)9(2)11(16)14-3-5-17-6-4-14/h7,9H,3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,12,16,13,15,4,2,7,3,9,17,5,11,6,10,14/E:(3,4)(5,6)/rA:17cCCCCNNCCCONCCOCCBr/rB:s1;d2;s3;d4;s2s5;s6;s7;s7;d9;s9;s11;s12;s13;s14;s11s15;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16BrN3O2 |
All Atoms: | 33 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.1156 |
Area: | 415.328 |
Solvation: | -4.26759 |
Coulombic: | -27.6055 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 302.168 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.99 |
LogP (Chemaxon): | 0.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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