Chemical ID: 4919021

C1CCCN(CCC1)C(=O)CC#N
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

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Descriptor Annotations

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