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Chemical ID: 3967507
Chemical ID:
3967507
Name [?]:
2-methyl-1,2-bis(3-pyridyl)propan-1-one
SMILES [?]:
CC(C)(c1cccnc1)C(=O)c2cccnc2
InChi [?]:
InChI=1/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,14,6,13,5,15,7,17,9,12,4,10,2,16,8,11/E:(1,2)/rA:17nCCCCCCCNCCOCCCCNC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s2;d10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14N2O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.12113 |
Area: | 393.036 |
Solvation: | -2.70477 |
Coulombic: | -17.7045 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 226.274 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.81 |
LogP (Chemaxon): | 1.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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