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Chemical ID: 4561951
Chemical ID:
4561951
Name [?]:
None
SMILES [?]:
Cc1cccc2c1NC3(CCCCCC3)CC2C
InChi [?]:
InChI=1/C17H25N/c1-13-8-7-9-15-14(2)12-17(18-16(13)15)10-5-3-4-6-11-17/h7-9,14,18H,3-6,10-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,12,13,11,14,4,3,5,10,15,16,2,17,6,7,9,8/E:(3,4)(5,6)(10,11)/rA:18cCCCCCCCNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s13;s9s14;s9;s6s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H25N |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.16452 |
Area: | 402.997 |
Solvation: | -0.910401 |
Coulombic: | -13.7956 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 243.387 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.99 |
LogP (Chemaxon): | 4.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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