Chemical ID: 5618134

Cc1ccc(cc1)NC(=O)N(C)c2ccccc2
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue