Chemical ID: 4809708

c1ccc(c(c1)CN2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(cc5)Cl)Cl
Chemical ID:
4809708
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)CN2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(cc5)Cl)Cl
InChi [?]:
InChI=1/C24H15Cl2NO3/c25-16-11-9-14(10-12-16)21-20-22(28)17-6-2-4-8-19(17)30-23(20)24(29)27(21)13-15-5-1-3-7-18(15)26/h1-12,21H,13H2
InChi Info:
AuxInfo=1/0/N:1,15,2,16,6,14,3,17,24,28,25,27,7,23,5,26,13,4,18,10,9,11,20,21,29,30,8,12,22,19/E:(9,10)(11,12)/rA:30cCCCCCCCNCCCOCCCCCCOCCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s8s20;d21;s9;s23;d24;s25;d26;d23s27;s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H15Cl2NO3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.7988
Area:608.239
Solvation:-3.40717
Coulombic:-38.2102
Bond Count [?]
All:34
Single:22
Double:12
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:436.286
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.37
LogP (Chemaxon):5.47

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Descriptor Annotations

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