Chemical ID: 4570401

Cc1c2c(cc3c1oc(=O)c4c3CCCCC4)c(co2)C(C)(C)C
Chemical ID:
4570401
Name [?]:
None
SMILES [?]:
Cc1c2c(cc3c1oc(=O)c4c3CCCCC4)c(co2)C(C)(C)C
InChi [?]:
InChI=1/C21H24O3/c1-12-18-16(17(11-23-18)21(2,3)4)10-15-13-8-6-5-7-9-14(13)20(22)24-19(12)15/h10-11H,5-9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,22,23,24,15,14,16,13,17,5,19,2,12,11,6,4,18,3,7,9,21,10,20,8/E:(2,3,4)/rA:24nCCCCCCCOCOCCCCCCCCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6d11;s12;s13;s14;s15;s11s16;s4;d18;s3s19;s18;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.98716
Area:500.442
Solvation:-2.52389
Coulombic:-27.5722
Bond Count [?]
All:27
Single:21
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:324.413
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.22
LogP (Chemaxon):6.41

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Descriptor Annotations

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