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Chemical ID: 5239612
Chemical ID:
5239612
Name [?]:
5-methyl-3,5,7,8,9-pentazabicyclo[4.3.0]nona-8,10-dien-2-one
SMILES [?]:
CN1CNC(=O)c2c1[nH]nn2
InChi [?]:
InChI=1/C5H7N5O/c1-10-2-6-5(11)3-4(10)8-9-7-3/h2H2,1H3,(H,6,11)(H,7,8,9)
InChi Info:
AuxInfo=1/1/N:1,3,7,8,5,4,11,9,10,2,6/rA:11cCNCNCOCCNNN/rB:s1;s2;s3;s4;d5;s5;s2d7;s8;s9;s7d10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H7N5O |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.60719 |
Area: | 288.19 |
Solvation: | -2.59756 |
Coulombic: | -37.2468 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 153.142 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.14 |
LogP (Chemaxon): | -0.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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