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Chemical ID: 6642609
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
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Experimental Annotations
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Descriptor Annotations
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