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Chemical ID: 6664128
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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