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Chemical ID: 4919021
Chemical ID:
4919021
Name [?]:
3-azocan-1-yl-3-oxo-propanenitrile
SMILES [?]:
C1CCCN(CCC1)C(=O)CC#N
InChi [?]:
InChI=1/C10H16N2O/c11-7-6-10(13)12-8-4-2-1-3-5-9-12/h1-6,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,8,3,7,11,12,4,6,9,13,5,10/E:(2,3)(4,5)(8,9)/rA:13nCCCCNCCCCOCCN/rB:s1;s2;s3;s4;s5;s6;s1s7;s5;d9;s9;s11;t12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H16N2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.88081 |
Area: | 344.75 |
Solvation: | -2.73793 |
Coulombic: | -17.2862 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 1 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 180.247 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.54 |
LogP (Chemaxon): | 1.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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