Chemical ID: 7085762

c1ccc(c(c1)NCc2cccc(c2)Cl)F
Chemical ID:
7085762
Name [?]:
N-[(3-chlorophenyl)methyl]-2-fluoro-aniline
SMILES [?]:
c1ccc(c(c1)NCc2cccc(c2)Cl)F
InChi [?]:
InChI=1/C13H11ClFN/c14-11-5-3-4-10(8-11)9-16-13-7-2-1-6-12(13)15/h1-8,16H,9H2
InChi Info:
AuxInfo=1/0/N:2,1,11,10,12,3,6,14,8,9,13,4,5,15,16,7/rA:16nCCCCCCNCCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s13;s4;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11ClFN
All Atoms:27
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.46719
Area:416.414
Solvation:-1.94316
Coulombic:-19.1526
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:235.684
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.16
LogP (Chemaxon):4.05

Name Annotations

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Descriptor Annotations

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