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Chemical ID: 4916381
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
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Experimental Annotations
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Descriptor Annotations
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