Chemical ID: 6787321

CCN1C(=O)C(C2CC1(Oc3c2cccc3)C)C(=O)c4ccccc4
Chemical ID:
6787321
Name [?]:
None
SMILES [?]:
CCN1C(=O)C(C2CC1(Oc3c2cccc3)C)C(=O)c4ccccc4
InChi [?]:
InChI=1/C21H21NO3/c1-3-22-20(24)18(19(23)14-9-5-4-6-10-14)16-13-21(22,2)25-17-12-8-7-11-15(16)17/h4-12,16,18H,3,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,23,22,24,14,15,21,25,13,16,8,20,12,7,11,6,18,4,9,3,19,5,10/E:(5,6)(9,10)/rA:25cCCNCOCCCCOCCCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s3s8;s9;s10;s7s11;d12;s13;d14;d11s15;s9;s6;d18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21NO3
All Atoms:46
Heavy Atoms:25
Chiral Atoms:3
ZAP Information [?]
Total:8.71
Area:501.681
Solvation:-3.83203
Coulombic:-33.0836
Bond Count [?]
All:28
Single:20
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:335.396
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.39
LogP (Chemaxon):3.53

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Descriptor Annotations

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