Chemical ID: 5442537

c1ccc(cc1)c2c[nH]nc2
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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