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Chemical ID: 7657067
Chemical ID:
7657067
Name [?]:
None
SMILES [?]:
CCN1CC(Oc2c1cccc2)CNC
InChi [?]:
InChI=1/C12H18N2O/c1-3-14-9-10(8-13-2)15-12-7-5-4-6-11(12)14/h4-7,10,13H,3,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,10,11,9,12,13,4,5,8,7,14,3,6/rA:15cCCNCCOCCCCCCCNC/rB:s1;s2;s3;s4;s5;s6;s3s7;d8;s9;d10;d7s11;s5;s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2O |
All Atoms: | 33 |
Heavy Atoms: | 15 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.76034 |
Area: | 387.149 |
Solvation: | -2.91837 |
Coulombic: | -23.7948 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.01 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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