Chemical ID: 6440459

c1ccc2c(c1)ccc3c2cc(o3)C(=O)NC4CCCCC4
Chemical ID:
6440459
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2cc(o3)C(=O)NC4CCCCC4
InChi [?]:
InChI=1/C19H19NO2/c21-19(20-14-7-2-1-3-8-14)18-12-16-15-9-5-4-6-13(15)10-11-17(16)22-18/h4-6,9-12,14H,1-3,7-8H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:20,19,21,1,2,6,18,22,3,7,8,11,5,17,4,10,9,12,14,16,15,13/E:(2,3)(7,8)/rA:22nCCCCCCCCCCCCOCONCCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s9s12;s12;d14;s14;s16;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.5347
Area:493.718
Solvation:-1.80822
Coulombic:-33.6466
Bond Count [?]
All:25
Single:18
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:293.36
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.58
LogP (Chemaxon):3.87

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Experimental Annotations

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Descriptor Annotations

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