Chemical ID: 6523724

c1cc(cc(c1)Cl)NC(=O)NCCc2ccc(c(c2)O)O
Chemical ID:
6523724
Name [?]:
1-(3-chlorophenyl)-3-[2-(3,4-dihydroxyphenyl)ethyl]urea
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)NCCc2ccc(c(c2)O)O
InChi [?]:
InChI=1/C15H15ClN2O3/c16-11-2-1-3-12(9-11)18-15(21)17-7-6-10-4-5-13(19)14(20)8-10/h1-5,8-9,19-20H,6-7H2,(H2,17,18,21)
InChi Info:
AuxInfo=1/1/N:1,6,2,15,16,13,12,19,4,14,5,3,17,18,9,7,11,8,21,20,10/rA:21nCCCCCCClNCONCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;s14;d15;s16;d17;d14s18;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15ClN2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.96287
Area:520.941
Solvation:-4.06065
Coulombic:-67.6887
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:306.744
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:3.02
LogP (Chemaxon):3.32

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