Chemical ID: 4442429

c1cc(ccc1OCCN2CCCCCC2)Cl
Chemical ID:
4442429
Name [?]:
1-[2-(4-chlorophenoxy)ethyl]azepane
SMILES [?]:
c1cc(ccc1OCCN2CCCCCC2)Cl
InChi [?]:
InChI=1/C14H20ClNO/c15-13-5-7-14(8-6-13)17-12-11-16-9-3-1-2-4-10-16/h5-8H,1-4,9-12H2
InChi Info:
AuxInfo=1/0/N:13,14,12,15,2,4,1,5,11,16,9,8,3,6,17,10,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:17nCCCCCCOCCNCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s10s15;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20ClNO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.43483
Area:446.119
Solvation:-2.71816
Coulombic:-13.5511
Bond Count [?]
All:18
Single:15
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:253.767
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.63
LogP (Chemaxon):3.41

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Descriptor Annotations

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