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Chemical ID: 5442537
Chemical ID:
5442537
Name [?]:
4-phenyl-1H-pyrazole
SMILES [?]:
c1ccc(cc1)c2c[nH]nc2
InChi [?]:
InChI=1/C9H8N2/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-7H,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,11,4,7,9,10/E:(2,3)(4,5)(6,7)(10,11)/rA:11nCCCCCCCCNNC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8N2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.8279 |
Area: | 304.783 |
Solvation: | -1.79168 |
Coulombic: | -10.2865 |
Bond Count [?]
All: | 12 |
Single: | 7 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 144.173 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.65 |
LogP (Chemaxon): | 2.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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