Chemical ID: 6672885

c1ccc(cc1)NC(=O)N(c2ccccc2)c3ccccc3
Chemical ID:
6672885
Name [?]:
1,1,3-triphenylurea
SMILES [?]:
c1ccc(cc1)NC(=O)N(c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C19H16N2O/c22-19(20-16-10-4-1-5-11-16)21(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,14,20,2,6,13,15,19,21,3,5,12,16,18,22,4,11,17,8,7,10,9/E:(2,3)(4,5)(6,7,8,9)(10,11)(12,13,14,15)(17,18)/rA:22nCCCCCCNCONCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s10;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.3938
Area:490.592
Solvation:-1.87105
Coulombic:-33.6331
Bond Count [?]
All:24
Single:14
Double:10
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:288.343
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.19
LogP (Chemaxon):4.96

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Descriptor Annotations

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