Chemical ID: 5773809

c1ccc(cc1)c2nnn(n2)Cn3ccc(n3)C(=O)O
Chemical ID:
5773809
Name [?]:
1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxylic acid
SMILES [?]:
c1ccc(cc1)c2nnn(n2)Cn3ccc(n3)C(=O)O
InChi [?]:
InChI=1/C12H10N6O2/c19-12(20)10-6-7-17(14-10)8-18-15-11(13-16-18)9-4-2-1-3-5-9/h1-7H,8H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,15,14,12,4,16,7,18,8,17,11,9,13,10,19,20/E:(2,3)(4,5)(19,20)/rA:20nCCCCCCCNNNNCNCCCNCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s10;s12;s13;d14;s15;s13d16;s16;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10N6O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.2055
Area:467.618
Solvation:-3.48494
Coulombic:-38.949
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:270.247
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.27
LogP (Chemaxon):1.99

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue