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Chemical ID: 6674915

Chemical ID:

6674915

Name [?]:

3-(3-chloro-4-fluoro-phenyl)-1-[4-(2-hydroxyethyl)phenyl]-urea

SMILES [?]:

c1cc(ccc1CCO)NC(=O)Nc2ccc(c(c2)Cl)F

InChi [?]:

InChI=1/C15H14ClFN2O2/c16-13-9-12(5-6-14(13)17)19-15(21)18-11-3-1-10(2-4-11)7-8-20/h1-6,9,20H,7-8H2,(H2,18,19,21)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,15,16,7,8,19,6,3,14,18,17,11,20,21,10,13,9,12/E:(1,2)(3,4)/rA:21nCCCCCCCCONCONCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s3;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₄ClFN₂O₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	8.63808
Area:	503.286
Solvation:	-3.94407
Coulombic:	-55.2002

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	308.735
H-Bond Donors:	3
H-Bond Acceptors:	4
XLogP:	2.61
LogP (Chemaxon):	3.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value