Chemical ID: 3964465

C1COCCC1CC#N
Chemical ID:
3964465
Name [?]:
2-tetrahydropyran-4-ylacetonitrile
SMILES [?]:
C1COCCC1CC#N
InChi [?]:
InChI=1/C7H11NO/c8-4-1-7-2-5-9-6-3-7/h7H,1-3,5-6H2
InChi Info:
AuxInfo=1/0/N:7,1,5,8,2,4,6,9,3/E:(2,3)(5,6)/rA:9nCCOCCCCCN/rB:s1;s2;s3;s4;s1s5;s6;s7;t8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H11NO
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:4.50721
Area:286.59
Solvation:-2.65754
Coulombic:-9.76006
Bond Count [?]
All:9
Single:8
Double:0
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:125.168
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.41
LogP (Chemaxon):0.57

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Descriptor Annotations

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