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Chemical ID: 4620490
Chemical ID:
4620490
Name [?]:
None
SMILES [?]:
c1cc2c(cc1C3CCCCC3)c4c5n2CCNC5CCCC4
InChi [?]:
InChI=1/C21H28N2/c1-2-6-15(7-3-1)16-10-11-20-18(14-16)17-8-4-5-9-19-21(17)23(20)13-12-22-19/h10-11,14-15,19,22H,1-9,12-13H2
InChi Info:
AuxInfo=1/0/N:10,9,11,22,21,8,12,23,20,1,2,17,16,5,7,6,13,4,19,3,14,18,15/E:(2,3)(6,7)/rA:23cCCCCCCCCCCCCCCNCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s7s11;s4;d13;s3s14;s15;s16;s17;s14s18;s19;s20;s21;s13s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H28N2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.941 |
Area: | 491.244 |
Solvation: | -1.3401 |
Coulombic: | -16.9139 |
Bond Count [?]
All: | 27 |
Single: | 23 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 308.461 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.71 |
LogP (Chemaxon): | 4.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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