Chemical ID: 6642609

c1ccc(cc1)C(CO)NC(=O)Nc2ccccc2
Chemical ID:
6642609
Name [?]:
1-(2-hydroxy-1-phenyl-ethyl)-3-phenyl-urea
SMILES [?]:
c1ccc(cc1)C(CO)NC(=O)Nc2ccccc2
InChi [?]:
InChI=1/C15H16N2O2/c18-11-14(12-7-3-1-4-8-12)17-15(19)16-13-9-5-2-6-10-13/h1-10,14,18H,11H2,(H2,16,17,19)
InChi Info:
AuxInfo=1/1/N:1,17,2,6,16,18,3,5,15,19,8,4,14,7,11,13,10,9,12/E:(3,4)(5,6)(7,8)(9,10)/rA:19cCCCCCCCCONCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s7;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16N2O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:8.4871
Area:455.643
Solvation:-2.90398
Coulombic:-53.6894
Bond Count [?]
All:20
Single:13
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:256.3
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:2.02
LogP (Chemaxon):2.75

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