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Chemical ID: 7284393
Chemical ID:
7284393
Name [?]:
4-methyl-8-[(5-phenyltetrazol-2-yl)methyl]-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraene
SMILES [?]:
Cc1ccc2nc(cn2c1)Cn3nc(nn3)c4ccccc4
InChi [?]:
InChI=1/C16H14N6/c1-12-7-8-15-17-14(10-21(15)9-12)11-22-19-16(18-20-22)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,18,22,3,4,10,8,11,2,17,7,5,14,6,15,13,16,9,12/E:(3,4)(5,6)/rA:22nCCCCCNCCNCCNNCNNCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s5s8;d2s9;s7;s11;s12;d13;s14;s12d15;s14;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14N6 |
All Atoms: | 36 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.62573 |
Area: | 494.208 |
Solvation: | -2.72948 |
Coulombic: | -17.1538 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 290.323 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.05 |
LogP (Chemaxon): | 3.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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