Chemical ID: 7196584

CCCCNC(=O)C1CCCCC1C(=O)[O-]
Chemical ID:
7196584
Name [?]:
2-(butylcarbamoyl)cyclohexane-1-carboxylate
SMILES [?]:
CCCCNC(=O)C1CCCCC1C(=O)[O-]
InChi [?]:
InChI=1/C12H21NO3/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(15)16/h9-10H,2-8H2,1H3,(H,13,14)(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,3,10,11,9,12,4,8,13,6,14,5,7,15,16/E:(15,16)/rA:16cCCCCNCOCCCCCCCOO-/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H20NO3-
All Atoms:36
Heavy Atoms:16
Chiral Atoms:2
ZAP Information [?]
Total:-34.0549
Area:412.488
Solvation:-44.3671
Coulombic:-18.0221
Bond Count [?]
All:16
Single:14
Double:2
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:226.292
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.33
LogP (Chemaxon):1.63

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Descriptor Annotations

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