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Chemical ID: 7521992
Chemical ID:
7521992
Name [?]:
1-(4-chlorophenoxy)-3-cyclopentylamino-propan-2-ol
SMILES [?]:
c1cc(ccc1OCC(CNC2CCCC2)O)Cl
InChi [?]:
InChI=1/C14H20ClNO2/c15-11-5-7-14(8-6-11)18-10-13(17)9-16-12-3-1-2-4-12/h5-8,12-13,16-17H,1-4,9-10H2
InChi Info:
AuxInfo=1/0/N:14,15,13,16,2,4,1,5,10,8,3,12,9,6,18,11,17,7/E:(1,2)(3,4)(5,6)(7,8)/rA:18cCCCCCCOCCCNCCCCCOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s12s15;s9;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20ClNO2 |
All Atoms: | 38 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.83524 |
Area: | 486.624 |
Solvation: | -4.33035 |
Coulombic: | -33.5242 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.76 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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