Chemical ID: 7407132

CCOc1cc(ccc1O)C2c3c(=O)c4cc(c(cc4oc3C(=O)N2Cc5ccco5)C)Cl
Chemical ID:
7407132
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1O)C2c3c(=O)c4cc(c(cc4oc3C(=O)N2Cc5ccco5)C)Cl
InChi [?]:
InChI=1/C25H20ClNO6/c1-3-31-20-10-14(6-7-18(20)28)22-21-23(29)16-11-17(26)13(2)9-19(16)33-24(21)25(30)27(22)12-15-5-4-8-32-15/h4-11,22,28H,3,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,2,29,28,7,8,30,19,5,16,26,18,6,27,15,17,9,20,4,12,11,13,22,23,33,25,10,14,24,3,31,21/rA:33cCCOCCCCCCOCCCOCCCCCCOCCONCCCCCOCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;d27;s28;d29;s27s30;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H20ClNO6
All Atoms:53
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:9.4218
Area:671.635
Solvation:-7.36907
Coulombic:-63.5122
Bond Count [?]
All:37
Single:26
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:465.882
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.61
LogP (Chemaxon):4.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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