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Chemical ID: 6715110
Chemical ID:
6715110
Name [?]:
2-(4-aminophenyl)-5-methyl-1H-pyrazol-3-one
SMILES [?]:
Cc1cc(=O)n([nH]1)c2ccc(cc2)N
InChi [?]:
InChI=1/C10H11N3O/c1-7-6-10(14)13(12-7)9-4-2-8(11)3-5-9/h2-6,12H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,12,9,13,3,2,11,8,4,14,7,6,5/E:(2,3)(4,5)/rA:14nCCCCONNCCCCCCN/rB:s1;d2;s3;d4;s4;s2s6;s6;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11N3O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.80302 |
Area: | 354.844 |
Solvation: | -2.06809 |
Coulombic: | -38.0472 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 189.214 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 0.87 |
LogP (Chemaxon): | 0.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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