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Chemical ID: 6644392
Chemical ID:
6644392
Name [?]:
3-cyclohexyl-1-sec-butyl-urea
SMILES [?]:
CCC(C)NC(=O)NC1CCCCC1
InChi [?]:
InChI=1/C11H22N2O/c1-3-9(2)12-11(14)13-10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H2,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,4,2,12,11,13,10,14,3,9,6,5,8,7/E:(5,6)(7,8)/rA:14cCCCCNCONCCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H22N2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.67989 |
Area: | 395.963 |
Solvation: | -1.21917 |
Coulombic: | -36.1864 |
Bond Count [?]
All: | 14 |
Single: | 13 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 198.305 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.42 |
LogP (Chemaxon): | 2.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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