Chemical ID: 4576019

CC12CCC3C(C1CCC24OCCO4)CCC5=CC(=O)C=CC35C
Chemical ID:
4576019
Name [?]:
None
SMILES [?]:
CC12CCC3C(C1CCC24OCCO4)CCC5=CC(=O)C=CC35C
InChi [?]:
InChI=1/C21H28O3/c1-19-8-5-15(22)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20)23-11-12-24-21/h5,8,13,16-18H,3-4,6-7,9-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:24,1,16,15,21,4,8,22,3,9,12,13,18,17,19,6,5,7,23,2,10,20,11,14/E:(11,12)(23,24)/rA:24cCCCCCCCCCCOCCOCCCCCOCCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s2s9;s10;s11;s12;s10s13;s6;s15;s16;d17;s18;d19;s19;d21;s5s17s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H28O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:5
ZAP Information [?]
Total:8.65453
Area:481.637
Solvation:-3.3864
Coulombic:-28.0358
Bond Count [?]
All:28
Single:25
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:328.445
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.35
LogP (Chemaxon):4.0

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Descriptor Annotations

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