Chemical ID: 4803372

c1ccc(cc1)CCN2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(c(c5)Cl)Cl
Chemical ID:
4803372
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CCN2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(c(c5)Cl)Cl
InChi [?]:
InChI=1/C25H17Cl2NO3/c26-18-11-10-16(14-19(18)27)22-21-23(29)17-8-4-5-9-20(17)31-24(21)25(30)28(22)13-12-15-6-2-1-3-7-15/h1-11,14,22H,12-13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,16,17,3,5,15,18,25,26,7,8,29,4,24,14,27,28,19,11,10,12,21,22,31,30,9,13,23,20/E:(2,3)(6,7)/rA:31cCCCCCCCCNCCCOCCCCCCOCCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s9s21;d22;s10;s24;d25;s26;d27;d24s28;s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H17Cl2NO3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.7018
Area:643.249
Solvation:-3.3794
Coulombic:-38.4769
Bond Count [?]
All:35
Single:23
Double:12
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:450.313
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.53
LogP (Chemaxon):5.72

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue