Chemical ID: 4916381

c1ccc(cc1)c2c3c([nH]n2)nc(nn3)O
Chemical ID:
4916381
Name [?]:
9-phenyl-2,3,5,7,8-pentazabicyclo[4.3.0]nona-1,3,5,8-tetraen-4-ol
SMILES [?]:
c1ccc(cc1)c2c3c([nH]n2)nc(nn3)O
InChi [?]:
InChI=1/C10H7N5O/c16-10-11-9-8(13-15-10)7(12-14-9)6-4-2-1-3-5-6/h1-5H,(H2,11,12,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,8,9,13,12,11,15,10,14,16/E:(2,3)(4,5)/rA:16nCCCCCCCCCNNNCNNO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d7s10;d9;s12;d13;d8s14;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7N5O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.31996
Area:373.287
Solvation:-2.01222
Coulombic:-40.8145
Bond Count [?]
All:18
Single:11
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:213.196
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.51
LogP (Chemaxon):1.61

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