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Chemical ID: 5828179
Chemical ID:
5828179
Name [?]:
5-methyl-4-[(4-phenylphenyl)methylene]-2-(p-tolyl)pyrazol-3-one
SMILES [?]:
Cc1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3)c4ccccc4)C(=N2)C
InChi [?]:
InChI=1/C24H20N2O/c1-17-8-14-22(15-9-17)26-24(27)23(18(2)25-26)16-19-10-12-21(13-11-19)20-6-4-3-5-7-20/h3-16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,22,21,23,20,24,3,7,14,18,15,17,4,6,12,2,25,13,19,16,5,11,9,26,8,10/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:27nCCCCCCCNCOCCCCCCCCCCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s16;s19;d20;s21;d22;d19s23;s11;s8d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20N2O |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0527 |
Area: | 574.104 |
Solvation: | -2.29986 |
Coulombic: | -20.0505 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 352.428 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.14 |
LogP (Chemaxon): | 6.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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