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Chemical ID: 3967604
Chemical ID:
3967604
Name [?]:
1,3-dicyclohexylurea
SMILES [?]:
C1CCC(CC1)NC(=O)NC2CCCCC2
InChi [?]:
InChI=1/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,14,2,6,13,15,3,5,12,16,4,11,8,7,10,9/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(14,15)/rA:16nCCCCCCNCONCCCCCC/rB:s1;s2;s3;s4;s1s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H24N2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.16898 |
Area: | 418.02 |
Solvation: | -1.28152 |
Coulombic: | -36.522 |
Bond Count [?]
All: | 17 |
Single: | 16 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 224.343 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.01 |
LogP (Chemaxon): | 2.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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