Chemical ID: 4561338

CCCCCCc1c(c2cc3c(c(oc3c(c2oc1=O)C)C)c4ccccc4)C
Chemical ID:
4561338
Name [?]:
None
SMILES [?]:
CCCCCCc1c(c2cc3c(c(oc3c(c2oc1=O)C)C)c4ccccc4)C
InChi [?]:
InChI=1/C26H28O3/c1-5-6-7-11-14-20-16(2)21-15-22-23(19-12-9-8-10-13-19)18(4)28-25(22)17(3)24(21)29-26(20)27/h8-10,12-13,15H,5-7,11,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,21,22,2,3,4,26,25,27,5,24,28,6,10,8,16,13,23,7,9,11,12,17,15,19,20,14,18/E:(9,10)(12,13)/rA:29nCCCCCCCCCCCCCOCCCOCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;d10;s11;d12;s13;s11s14;d15;d9s16;s17;s7s18;d19;s16;s13;s12;s23;d24;s25;d26;d23s27;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H28O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.2647
Area:636.635
Solvation:-2.65114
Coulombic:-29.4179
Bond Count [?]
All:32
Single:23
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:388.499
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:7.38
LogP (Chemaxon):7.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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