Chemical ID: 4518183

c1ccc(cc1)NC(=O)Nc2ccccc2
Chemical ID:
4518183
Name [?]:
1,3-diphenylurea
SMILES [?]:
c1ccc(cc1)NC(=O)Nc2ccccc2
InChi [?]:
InChI=1/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,14,2,6,13,15,3,5,12,16,4,11,8,7,10,9/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(14,15)/rA:16nCCCCCCNCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12N2O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.98666
Area:393.249
Solvation:-1.84457
Coulombic:-36.1636
Bond Count [?]
All:17
Single:10
Double:7
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:212.247
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.48
LogP (Chemaxon):3.51

Name Annotations

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Descriptor Annotations

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