Chemical ID: 5086375

c1cc(ccc1OCC(CN2CCCC2)O)Cl
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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Descriptor Annotations

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