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Chemical ID: 5222217
Chemical ID:
5222217
Name [?]:
2,4,9-trimethyl-7-phenyl-3,5,8-triazabicyclo[4.3.0]nona-2,4,6,9-tetraene
SMILES [?]:
Cc1c2c(nc(nc2c([nH]1)c3ccccc3)C)C
InChi [?]:
InChI=1/C15H15N3/c1-9-13-10(2)17-14(12-7-5-4-6-8-12)15(13)18-11(3)16-9/h4-8,17H,1-3H3
InChi Info:
AuxInfo=1/0/N:18,1,17,14,13,15,12,16,4,2,6,11,3,9,8,5,10,7/E:(5,6)(7,8)/rA:18nCCCCNCNCCNCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;s2s9;s9;s11;d12;s13;d14;d11s15;s6;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15N3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.01221 |
Area: | 420.92 |
Solvation: | -1.51078 |
Coulombic: | -22.5116 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 237.3 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.1 |
LogP (Chemaxon): | 2.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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