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Chemical ID: 5579283
Chemical ID:
5579283
Name [?]:
1-[2-(4-chlorophenoxy)ethoxy]-3-(3-isopropoxypropylamino)propan-2-ol
SMILES [?]:
CC(C)OCCCNCC(COCCOc1ccc(cc1)Cl)O
InChi [?]:
InChI=1/C17H28ClNO4/c1-14(2)22-9-3-8-19-12-16(20)13-21-10-11-23-17-6-4-15(18)5-7-17/h4-7,14,16,19-20H,3,8-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,6,18,20,17,21,7,5,13,14,9,11,2,19,10,16,22,8,23,12,4,15/E:(1,2)(4,5)(6,7)/rA:23cCCCOCCCNCCCOCCOCCCCCCClO/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s19;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H28ClNO4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.45663 |
Area: | 630.642 |
Solvation: | -8.30942 |
Coulombic: | -47.473 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 345.861 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.36 |
LogP (Chemaxon): | 2.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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