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Chemical ID: 5327768
Chemical ID:
5327768
Name [?]:
None
SMILES [?]:
c1c2c(cc(c1Cl)Cl)N3CCNCC3C(=O)N2
InChi [?]:
InChI=1/C11H11Cl2N3O/c12-6-3-8-9(4-7(6)13)16-2-1-14-5-10(16)11(17)15-8/h3-4,10,14H,1-2,5H2,(H,15,17)
InChi Info:
AuxInfo=1/1/N:11,10,1,4,13,6,5,2,3,14,15,7,8,12,17,9,16/rA:17cCCCCCCClClNCCNCCCON/rB:s1;d2;s3;d4;d1s5;s6;s5;s3;s9;s10;s11;s12;s9s13;s14;d15;s2s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11Cl2N3O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.92993 |
Area: | 406.978 |
Solvation: | -2.24452 |
Coulombic: | -36.7378 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 272.13 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.7 |
LogP (Chemaxon): | 2.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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