Chemical ID: 4567352

Cc1c(ccc2c1oc(=O)c3c2CCC3)OCC(=O)NC(CC(C)C)C(=O)O
Chemical ID:
4567352
Name [?]:
None
SMILES [?]:
Cc1c(ccc2c1oc(=O)c3c2CCC3)OCC(=O)NC(CC(C)C)C(=O)O
InChi [?]:
InChI=1/C21H25NO6/c1-11(2)9-16(20(24)25)22-18(23)10-27-17-8-7-14-13-5-4-6-15(13)21(26)28-19(14)12(17)3/h7-8,11,16H,4-6,9-10H2,1-3H3,(H,22,23)(H,24,25)
InChi Info:
AuxInfo=1/1/N:24,25,1,14,13,15,5,4,22,17,23,2,12,6,11,21,3,18,7,26,9,20,19,27,28,10,16,8/E:(1,2)(24,25)/rA:28cCCCCCCCOCOCCCCCOCCONCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6d11;s12;s13;s11s14;s3;s16;s17;d18;s18;s20;s21;s22;s23;s23;s21;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25NO6
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.23516
Area:614.333
Solvation:-6.12316
Coulombic:-73.5822
Bond Count [?]
All:30
Single:23
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:387.426
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.95
LogP (Chemaxon):3.35

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Descriptor Annotations

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