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Chemical ID: 6359476
Chemical ID:
6359476
Name [?]:
1-cyclohexyl-3-cyclopentyl-urea
SMILES [?]:
C1CCC(CC1)NC(=O)NC2CCCC2
InChi [?]:
InChI=1/C12H22N2O/c15-12(14-11-8-4-5-9-11)13-10-6-2-1-3-7-10/h10-11H,1-9H2,(H2,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,14,3,5,12,15,4,11,8,7,10,9/E:(2,3)(4,5)(6,7)(8,9)/rA:15nCCCCCCNCONCCCCC/rB:s1;s2;s3;s4;s1s5;s4;s7;d8;s8;s10;s11;s12;s13;s11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H22N2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.76449 |
Area: | 401.368 |
Solvation: | -1.26972 |
Coulombic: | -36.1908 |
Bond Count [?]
All: | 16 |
Single: | 15 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 210.316 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.44 |
LogP (Chemaxon): | 1.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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