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Chemical ID: 6343851
Chemical ID:
6343851
Name [?]:
3-cyclohexyl-1-isopropyl-urea
SMILES [?]:
CC(C)NC(=O)NC1CCCCC1
InChi [?]:
InChI=1/C10H20N2O/c1-8(2)11-10(13)12-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H2,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,11,10,12,9,13,2,8,5,4,7,6/E:(1,2)(4,5)(6,7)/rA:13nCCCNCONCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;s11;s8s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H20N2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.07199 |
Area: | 372.682 |
Solvation: | -1.24505 |
Coulombic: | -35.8138 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 184.279 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.06 |
LogP (Chemaxon): | 1.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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