Chemical ID: 6825918

CCOc1cc(ccc1O)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccc6c(c5)OCO6)Cl
Chemical ID:
6825918
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1O)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccc6c(c5)OCO6)Cl
InChi [?]:
InChI=1/C27H20ClNO7/c1-2-33-21-10-15(4-6-18(21)30)24-23-25(31)17-11-16(28)5-8-19(17)36-26(23)27(32)29(24)12-14-3-7-20-22(9-14)35-13-34-20/h3-11,24,30H,2,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,28,7,18,8,29,19,32,5,16,26,34,27,6,17,15,9,20,30,4,31,12,11,13,22,23,36,25,10,14,24,3,35,33,21/rA:36cCCOCCCCCCOCCCOCCCCCCOCCONCCCCCCCOCOCl/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;s27;d28;s29;d30;d27s31;s31;s33;s30s34;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H20ClNO7
All Atoms:56
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:8.96006
Area:662.96
Solvation:-7.61395
Coulombic:-73.9852
Bond Count [?]
All:41
Single:29
Double:12
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:505.903
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.44
LogP (Chemaxon):4.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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