Chemical ID: 4359724

c1ccc2c(c1)NC(C3=C(N2)CCCC3=O)c4ccc(c(c4)Cl)Cl
Chemical ID:
4359724
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)NC(C3=C(N2)CCCC3=O)c4ccc(c(c4)Cl)Cl
InChi [?]:
InChI=1/C19H16Cl2N2O/c20-12-9-8-11(10-13(12)21)19-18-16(6-3-7-17(18)24)22-14-4-1-2-5-15(14)23-19/h1-2,4-5,8-10,19,22-23H,3,6-7H2
InChi Info:
AuxInfo=1/0/N:2,1,13,3,6,12,14,18,19,22,17,20,21,4,5,10,15,9,8,24,23,11,7,16/rA:24cCCCCCCNCCCNCCCCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s4s10;s10;s12;s13;s9s14;d15;s8;s17;d18;s19;d20;d17s21;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16Cl2N2O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:10.8357
Area:515.341
Solvation:-2.04783
Coulombic:-32.8801
Bond Count [?]
All:27
Single:19
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:359.249
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.21
LogP (Chemaxon):3.98

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