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Chemical ID: 7669327
Chemical ID:
7669327
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)CN2CCCC(C2)C(=O)NN)Cl
InChi [?]:
InChI=1/C13H18ClN3O/c14-12-6-2-1-4-10(12)8-17-7-3-5-11(9-17)13(18)16-15/h1-2,4,6,11H,3,5,7-9,15H2,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,10,6,11,3,9,7,13,5,12,4,14,18,17,16,8,15/rA:18cCCCCCCCNCCCCCCONNCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s8s12;s12;d14;s14;s16;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18ClN3O |
All Atoms: | 36 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.0719 |
Area: | 447.878 |
Solvation: | -3.12504 |
Coulombic: | -32.8654 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.1 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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