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Chemical ID: 4279276
Chemical ID:
4279276
Name [?]:
None
SMILES [?]:
c1ccc2cc(ccc2c1)CN3CCc4c5ccccc5[nH]c4C3
InChi [?]:
InChI=1/C22H20N2/c1-2-6-18-13-16(9-10-17(18)5-1)14-24-12-11-20-19-7-3-4-8-21(19)23-22(20)15-24/h1-10,13,23H,11-12,14-15H2
InChi Info:
AuxInfo=1/0/N:1,2,18,19,10,3,17,20,7,8,14,13,5,11,24,6,9,4,16,15,21,23,22,12/rA:24cCCCCCCCCCCCNCCCCCCCCCNCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s21;d15s22;s12s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20N2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6639 |
Area: | 513.009 |
Solvation: | -2.16136 |
Coulombic: | -18.9508 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 312.408 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.68 |
LogP (Chemaxon): | 4.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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