Chemical ID: 3967507

CC(C)(c1cccnc1)C(=O)c2cccnc2
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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