Chemical ID: 3966580

C#CC1(CCCCC1)OC(=O)N
Chemical ID:
3966580
Name [?]:
(1-ethynylcyclohexyl) aminoformate
SMILES [?]:
C#CC1(CCCCC1)OC(=O)N
InChi [?]:
InChI=1/C9H13NO2/c1-2-9(12-8(10)11)6-4-3-5-7-9/h1H,3-7H2,(H2,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,5,7,4,8,10,3,12,11,9/E:(4,5)(6,7)/rA:12nCCCCCCCCOCON/rB:t1;s2;s3;s4;s5;s6;s3s7;s3;s9;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H13NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.65136
Area:324.668
Solvation:-1.46535
Coulombic:-41.0133
Bond Count [?]
All:12
Single:10
Double:1
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:167.205
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.21
LogP (Chemaxon):1.19

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Descriptor Annotations

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