Chemical ID: 4520768

Cc1ccc(c(c1)OCC(CN(CCO)CCO)O)Cl
Chemical ID:
4520768
Name [?]:
1-[bis(2-hydroxyethyl)amino]-3-(2-chloro-5-methyl-phenoxy)-propan-2-ol
SMILES [?]:
Cc1ccc(c(c1)OCC(CN(CCO)CCO)O)Cl
InChi [?]:
InChI=1/C14H22ClNO4/c1-11-2-3-13(15)14(8-11)20-10-12(19)9-16(4-6-17)5-7-18/h2-3,8,12,17-19H,4-7,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,13,16,14,17,7,11,9,2,10,5,6,20,12,15,18,19,8/E:(4,5)(6,7)(17,18)/rA:20cCCCCCCCOCCCNCCOCCOOCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s12;s16;s17;s10;s5;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H22ClNO4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:4.34722
Area:519.062
Solvation:-8.62933
Coulombic:-59.9818
Bond Count [?]
All:20
Single:17
Double:3
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:303.782
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:0.76
LogP (Chemaxon):1.5

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