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Chemical ID: 5086375
Chemical ID:
5086375
Name [?]:
1-(4-chlorophenoxy)-3-pyrrolidin-1-yl-propan-2-ol
SMILES [?]:
c1cc(ccc1OCC(CN2CCCC2)O)Cl
InChi [?]:
InChI=1/C13H18ClNO2/c14-11-3-5-13(6-4-11)17-10-12(16)9-15-7-1-2-8-15/h3-6,12,16H,1-2,7-10H2
InChi Info:
AuxInfo=1/0/N:13,14,2,4,1,5,12,15,10,8,3,9,6,17,11,16,7/E:(1,2)(3,4)(5,6)(7,8)/rA:17cCCCCCCOCCCNCCCCOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s13;s11s14;s9;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18ClNO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.0 |
Area: | 455.144 |
Solvation: | -4.3786 |
Coulombic: | -29.1831 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 255.74 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.25 |
LogP (Chemaxon): | 2.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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