Chemical ID: 4804054

Cc1ccc(cc1)CN2C(c3c(=O)c4ccccc4oc3C2=O)c5cccc(c5)Cl
Chemical ID:
4804054
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)CN2C(c3c(=O)c4ccccc4oc3C2=O)c5cccc(c5)Cl
InChi [?]:
InChI=1/C25H18ClNO3/c1-15-9-11-16(12-10-15)14-27-22(17-5-4-6-18(26)13-17)21-23(28)19-7-2-3-8-20(19)30-24(21)25(27)29/h2-13,22H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,26,25,27,15,18,3,7,4,6,29,8,2,5,24,28,14,19,11,10,12,21,22,30,9,13,23,20/E:(9,10)(11,12)/rA:30cCCCCCCCCNCCCOCCCCCCOCCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s9s21;d22;s10;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H18ClNO3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.3063
Area:576.832
Solvation:-3.11446
Coulombic:-38.1181
Bond Count [?]
All:34
Single:22
Double:12
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:415.868
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.19
LogP (Chemaxon):5.42

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Descriptor Annotations

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