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Chemical ID: 7191692
Chemical ID:
7191692
Name [?]:
3,5-bis(3,4-dimethylphenyl)-4-methyl-1-[(4-vinylphenyl)methyl]pyrazole
SMILES [?]:
Cc1ccc(cc1C)c2c(c(n(n2)Cc3ccc(cc3)C=C)c4ccc(c(c4)C)C)C
InChi [?]:
InChI=1/C29H30N2/c1-7-24-10-12-25(13-11-24)18-31-29(27-15-9-20(3)22(5)17-27)23(6)28(30-31)26-14-8-19(2)21(4)16-26/h7-17H,1,18H2,2-6H3
InChi Info:
AuxInfo=1/0/N:22,1,30,8,29,31,21,3,25,17,19,16,20,4,24,6,28,14,2,26,7,27,10,18,15,5,23,9,11,13,12/E:(10,11)(12,13)/rA:31nCCCCCCCCCCCNNCCCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d9s12;s12;s14;s15;d16;s17;d18;d15s19;s18;d21;s11;s23;d24;s25;d26;d23s27;s27;s26;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H30N2 |
All Atoms: | 61 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.3107 |
Area: | 662.624 |
Solvation: | -2.25489 |
Coulombic: | -10.5397 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 406.562 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 8.95 |
LogP (Chemaxon): | 8.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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