Chemical ID: 3966086

c1ccc(c(c1)C23c4cc(ccc4NC(=O)CN2CCO3)Cl)Cl
Chemical ID:
3966086
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)C23c4cc(ccc4NC(=O)CN2CCO3)Cl)Cl
InChi [?]:
InChI=1/C17H14Cl2N2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,11,12,19,20,9,17,10,5,8,4,13,15,7,22,23,14,18,16,21/rA:23cCCCCCCCCCCCCCNCOCNCCOClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s13;s14;d15;s15;s7s17;s18;s19;s7s20;s10;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14Cl2N2O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:8.25315
Area:459.339
Solvation:-3.23033
Coulombic:-37.38
Bond Count [?]
All:26
Single:19
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:349.211
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.14
LogP (Chemaxon):4.35

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Descriptor Annotations

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