Chemical ID: 5856254

COc1ccccc1C(=O)N2CCCCCC2
Chemical ID:
5856254
Name [?]:
azepan-1-yl-(2-methoxyphenyl)-methanone
SMILES [?]:
COc1ccccc1C(=O)N2CCCCCC2
InChi [?]:
InChI=1/C14H19NO2/c1-17-13-9-5-4-8-12(13)14(16)15-10-6-2-3-7-11-15/h4-5,8-9H,2-3,6-7,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,6,5,13,16,7,4,12,17,8,3,9,11,10,2/E:(2,3)(6,7)(10,11)/rA:17nCOCCCCCCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;s14;s15;s11s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.68306
Area:403.149
Solvation:-3.39566
Coulombic:-25.0462
Bond Count [?]
All:18
Single:14
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:233.306
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.71
LogP (Chemaxon):2.06

Name Annotations

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Descriptor Annotations

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