Chemical ID: 5164591

COC(=O)c1ccccc1NCc2cc(ccc2O)Cl
Chemical ID:
5164591
Name [?]:
methyl 2-[(5-chloro-2-hydroxy-phenyl)methylamino]benzoate
SMILES [?]:
COC(=O)c1ccccc1NCc2cc(ccc2O)Cl
InChi [?]:
InChI=1/C15H14ClNO3/c1-20-15(19)12-4-2-3-5-13(12)17-9-10-8-11(16)6-7-14(10)18/h2-8,17-18H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,6,9,16,17,14,12,13,15,5,10,18,3,20,11,19,4,2/rA:20nCOCOCCCCCCNCCCCCCCOCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14ClNO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.42465
Area:488.057
Solvation:-2.77677
Coulombic:-49.7138
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:291.729
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.96
LogP (Chemaxon):3.83

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue