Chemical ID: 4242958

COc1ccc(cc1)NC(=O)Cc2coc3c2c4ccccc4cc3
Chemical ID:
4242958
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)NC(=O)Cc2coc3c2c4ccccc4cc3
InChi [?]:
InChI=1/C21H17NO3/c1-24-17-9-7-16(8-10-17)22-20(23)12-15-13-25-19-11-6-14-4-2-3-5-18(14)21(15)19/h2-11,13H,12H2,1H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,19,24,5,7,4,8,25,12,14,23,13,6,3,18,16,10,17,9,11,2,15/E:(7,8)(9,10)/rA:25nCOCCCCCCNCOCCCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;s15;s13s16;d17;s18;d19;s20;d21;s18s22;d23;d16s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17NO3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.25535
Area:526.38
Solvation:-4.90415
Coulombic:-34.738
Bond Count [?]
All:28
Single:18
Double:10
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:331.365
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.95
LogP (Chemaxon):4.55

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Descriptor Annotations

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