Chemical ID: 5012093

COc1ccc(c(c1)OC)C2CCCCCN2
Chemical ID:
5012093
Name [?]:
2-(2,4-dimethoxyphenyl)azepane
SMILES [?]:
COc1ccc(c(c1)OC)C2CCCCCN2
InChi [?]:
InChI=1/C14H21NO2/c1-16-11-7-8-12(14(10-11)17-2)13-6-4-3-5-9-15-13/h7-8,10,13,15H,3-6,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,14,13,15,12,4,5,16,8,3,6,11,7,17,2,9/rA:17cCOCCCCCCOCCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;s12;s13;s14;s15;s11s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:7.44043
Area:414.728
Solvation:-2.92777
Coulombic:-24.5905
Bond Count [?]
All:18
Single:15
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:235.322
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.69
LogP (Chemaxon):2.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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