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Chemical ID: 4684385
Chemical ID:
4684385
Name [?]:
2-(3,4-dichlorophenyl)quinoline-4-carbohydrazide
SMILES [?]:
c1ccc2c(c1)c(cc(n2)c3ccc(c(c3)Cl)Cl)C(=O)NN
InChi [?]:
InChI=1/C16H11Cl2N3O/c17-12-6-5-9(7-13(12)18)15-8-11(16(22)21-19)10-3-1-2-4-14(10)20-15/h1-8H,19H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,13,16,8,11,5,7,14,15,4,9,19,18,17,22,10,21,20/rA:22nCCCCCCCCCNCCCCCCClClCONN/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;d12;s13;d14;d11s15;s15;s14;s7;d19;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11Cl2N3O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.89847 |
Area: | 514.121 |
Solvation: | -2.95455 |
Coulombic: | -35.4028 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 332.184 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 3.81 |
LogP (Chemaxon): | 3.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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