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Chemical ID: 6047228
Chemical ID:
6047228
Name [?]:
3-(1-nitroso-3,6-dihydro-2H-pyridin-2-yl)pyridine
SMILES [?]:
c1cc(cnc1)C2CC=CCN2N=O
InChi [?]:
InChI=1/C10H11N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h1-4,6,8,10H,5,7H2
InChi Info:
AuxInfo=1/0/N:9,10,1,2,8,6,11,4,3,7,5,13,12,14/rA:14cCCCCNCCCCCCNNO/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;d9;s10;s7s11;s12;d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11N3O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.75527 |
Area: | 349.078 |
Solvation: | -1.97169 |
Coulombic: | -10.0996 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 189.214 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.83 |
LogP (Chemaxon): | 1.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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