Chemical ID: 6664128

c1ccc(c(c1)NC(=O)Oc2ccccn2)Cl
Chemical ID:
6664128
Name [?]:
2-pyridyl (2-chlorophenyl)aminoformate
SMILES [?]:
c1ccc(c(c1)NC(=O)Oc2ccccn2)Cl
InChi [?]:
InChI=1/C12H9ClN2O2/c13-9-5-1-2-6-10(9)15-12(16)17-11-7-3-4-8-14-11/h1-8H,(H,15,16)
InChi Info:
AuxInfo=1/1/N:2,1,13,14,3,6,12,15,4,5,11,8,17,16,7,9,10/rA:17nCCCCCCNCOOCCCCCNCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s4;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9ClN2O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.53278
Area:419.229
Solvation:-1.94794
Coulombic:-40.1137
Bond Count [?]
All:18
Single:11
Double:7
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:248.665
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.11
LogP (Chemaxon):3.58

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Descriptor Annotations

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