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Chemical ID: 4560719
Chemical ID:
4560719
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2c3c(c4ccccc4[nH]3)CCN2
InChi [?]:
InChI=1/C18H18N2/c1-12-6-8-13(9-7-12)17-18-15(10-11-19-17)14-4-2-3-5-16(14)20-18/h2-9,17,19-20H,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,12,15,3,7,4,6,18,19,2,5,11,10,16,8,9,20,17/E:(6,7)(8,9)/rA:20cCCCCCCCCCCCCCCCCNCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s10;s18;s8s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.46623 |
Area: | 444.99 |
Solvation: | -1.65852 |
Coulombic: | -22.2897 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 262.349 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.47 |
LogP (Chemaxon): | 4.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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