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Chemical ID: 4601790
Chemical ID:
4601790
Name [?]:
3,5-dimethyl-1-phenyl-4-vinyl-pyrazole
SMILES [?]:
Cc1c(c(n(n1)c2ccccc2)C)C=C
InChi [?]:
InChI=1/C13H14N2/c1-4-13-10(2)14-15(11(13)3)12-8-6-5-7-9-12/h4-9H,1H2,2-3H3
InChi Info:
AuxInfo=1/0/N:15,1,13,14,10,9,11,8,12,2,4,7,3,6,5/E:(6,7)(8,9)/rA:15nCCCCNNCCCCCCCCC/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s9;d10;d7s11;s4;s3;d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.90322 |
Area: | 381.488 |
Solvation: | -1.63397 |
Coulombic: | -6.67395 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 198.264 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.19 |
LogP (Chemaxon): | 2.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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