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Chemical ID: 5618134
Chemical ID:
5618134
Name [?]:
1-methyl-1-phenyl-3-(p-tolyl)urea
SMILES [?]:
Cc1ccc(cc1)NC(=O)N(C)c2ccccc2
InChi [?]:
InChI=1/C15H16N2O/c1-12-8-10-13(11-9-12)16-15(18)17(2)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,12,16,15,17,14,18,3,7,4,6,2,5,13,9,8,11,10/E:(4,5)(6,7)(8,9)(10,11)/rA:18nCCCCCCCNCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s11;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.88073 |
Area: | 431.399 |
Solvation: | -1.90424 |
Coulombic: | -31.7329 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 240.3 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.06 |
LogP (Chemaxon): | 3.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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