Chemical ID: 5250070

c1ccc(cc1)c2c[nH]nc2C(=O)O
Chemical ID:
5250070
Name [?]:
4-phenyl-1H-pyrazole-3-carboxylic acid
SMILES [?]:
c1ccc(cc1)c2c[nH]nc2C(=O)O
InChi [?]:
InChI=1/C10H8N2O2/c13-10(14)9-8(6-11-12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,4,7,11,12,9,10,13,14/E:(2,3)(4,5)(13,14)/rA:14nCCCCCCCCNNCCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s11;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8N2O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.39375
Area:346.089
Solvation:-2.25848
Coulombic:-38.9546
Bond Count [?]
All:15
Single:9
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:188.183
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.18
LogP (Chemaxon):1.97

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Descriptor Annotations

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