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Chemical ID: 4359724
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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