Chemical ID: 7392572

Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)O)Cc5ccccc5
Chemical ID:
7392572
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)O)Cc5ccccc5
InChi [?]:
InChI=1/C25H18ClNO4/c1-14-10-20-18(12-19(14)26)23(29)21-22(16-8-5-9-17(28)11-16)27(25(30)24(21)31-20)13-15-6-3-2-4-7-15/h2-12,22,28H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,29,28,30,20,27,31,19,21,3,23,6,25,2,26,18,22,5,7,4,11,17,9,12,14,8,16,24,10,15,13/E:(3,4)(6,7)/rA:31cCCCCCCCClCOCCOCONCCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;d11;s4s12;s12;d14;s14;s11s16;s17;s18;d19;s20;d21;d18s22;s22;s16;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H18ClNO4
All Atoms:49
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.5057
Area:630.75
Solvation:-4.26307
Coulombic:-52.6439
Bond Count [?]
All:35
Single:23
Double:12
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:431.867
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.57
LogP (Chemaxon):5.13

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Descriptor Annotations

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