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Chemical ID: 6666332
Chemical ID:
6666332
Name [?]:
1-(3,4-dimethylphenyl)-3-isopropyl-urea
SMILES [?]:
Cc1ccc(cc1C)NC(=O)NC(C)C
InChi [?]:
InChI=1/C12H18N2O/c1-8(2)13-12(15)14-11-6-5-9(3)10(4)7-11/h5-8H,1-4H3,(H2,13,14,15)
InChi Info:
AuxInfo=1/1/N:14,15,1,8,3,4,6,13,2,7,5,10,12,9,11/E:(1,2)/rA:15nCCCCCCCCNCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.50765 |
Area: | 403.271 |
Solvation: | -1.57413 |
Coulombic: | -35.1628 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 206.284 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.67 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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