Chemical ID: 6762845

CCCOc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccc6c(c5)OCO6
Chemical ID:
6762845
Name [?]:
None
SMILES [?]:
CCCOc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccc6c(c5)OCO6
InChi [?]:
InChI=1/C28H23NO6/c1-2-13-32-19-10-8-18(9-11-19)25-24-26(30)20-5-3-4-6-21(20)35-27(24)28(31)29(25)15-17-7-12-22-23(14-17)34-16-33-22/h3-12,14,25H,2,13,15-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,18,16,19,28,7,9,6,10,29,3,32,26,34,27,8,5,15,20,30,31,12,11,13,22,23,25,14,24,4,35,33,21/E:(8,9)(10,11)/rA:35cCCCOCCCCCCCCCOCCCCCCOCCONCCCCCCCOCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;s27;d28;s29;d30;d27s31;s31;s33;s30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H23NO6
All Atoms:58
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:9.85455
Area:640.786
Solvation:-6.16511
Coulombic:-59.6713
Bond Count [?]
All:40
Single:28
Double:12
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:469.485
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.58
LogP (Chemaxon):4.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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