Chemical ID: 4456647

c1ccc2cc(ccc2c1)OCc3ccc(cc3)C(=O)N4CCCCC4
Chemical ID:
4456647
Name [?]:
[4-(2-naphthyloxymethyl)phenyl]-(1-piperidyl)methanone
SMILES [?]:
c1ccc2cc(ccc2c1)OCc3ccc(cc3)C(=O)N4CCCCC4
InChi [?]:
InChI=1/C23H23NO2/c25-23(24-14-4-1-5-15-24)20-10-8-18(9-11-20)17-26-22-13-12-19-6-2-3-7-21(19)16-22/h2-3,6-13,16H,1,4-5,14-15,17H2
InChi Info:
AuxInfo=1/0/N:24,1,2,23,25,10,3,14,18,15,17,8,7,22,26,5,12,13,9,16,4,6,19,21,20,11/E:(4,5)(8,9)(10,11)(14,15)/rA:26nCCCCCCCCCCOCCCCCCCCONCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23NO2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.8199
Area:568.934
Solvation:-3.4035
Coulombic:-28.0124
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:345.434
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.32
LogP (Chemaxon):4.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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