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Chemical ID: 7007140
Chemical ID:
7007140
Name [?]:
(2-aminophenyl)-(3,5-dimethylpyrazol-1-yl)-methanone
SMILES [?]:
Cc1cc(n(n1)C(=O)c2ccccc2N)C
InChi [?]:
InChI=1/C12H13N3O/c1-8-7-9(2)15(14-8)12(16)10-5-3-4-6-11(10)13/h3-7H,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,11,12,10,13,3,2,4,9,14,7,15,6,5,8/rA:16nCCCCNNCOCCCCCCNC/rB:s1;s2;d3;s4;d2s5;s5;d7;s7;s9;d10;s11;d12;d9s13;s14;s4;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13N3O |
All Atoms: | 29 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.96455 |
Area: | 384.654 |
Solvation: | -1.65181 |
Coulombic: | -32.7404 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 215.251 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.07 |
LogP (Chemaxon): | 1.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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