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Chemical ID: 7721792
Chemical ID:
7721792
Name [?]:
None
SMILES [?]:
CC(C)NCC(COc1ccccc1Cl)O
InChi [?]:
InChI=1/C12H18ClNO2/c1-9(2)14-7-10(15)8-16-12-6-4-3-5-11(12)13/h3-6,9-10,14-15H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,12,11,13,10,5,7,2,6,14,9,15,4,16,8/E:(1,2)/rA:16cCCCNCCCOCCCCCCClO/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s6;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18ClNO2 |
All Atoms: | 34 |
Heavy Atoms: | 16 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.71652 |
Area: | 449.335 |
Solvation: | -4.51685 |
Coulombic: | -33.5132 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.38 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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