Chemical ID: 5516267

c1cc(ccc1COc2ccc(cc2Cl)C#N)F
Chemical ID:
5516267
Name [?]:
3-chloro-4-[(4-fluorophenyl)methoxy]benzonitrile
SMILES [?]:
c1cc(ccc1COc2ccc(cc2Cl)C#N)F
InChi [?]:
InChI=1/C14H9ClFNO/c15-13-7-11(8-17)3-6-14(13)18-9-10-1-4-12(16)5-2-10/h1-7H,9H2
InChi Info:
AuxInfo=1/0/N:1,5,11,2,4,10,13,16,7,6,12,3,14,9,15,18,17,8/E:(1,2)(4,5)/rA:18nCCCCCCCOCCCCCCClCNF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s12;t16;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9ClFNO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.54797
Area:450.716
Solvation:-3.71993
Coulombic:-16.0703
Bond Count [?]
All:19
Single:12
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:261.678
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.15
LogP (Chemaxon):4.04

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Descriptor Annotations

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