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Chemical ID: 3968342
Chemical ID:
3968342
Name [?]:
N'-(6-chloro-2-methoxy-acridin-9-yl)-N,N-diethyl-pentane-1,4-diamine
SMILES [?]:
CCN(CC)CCCC(C)Nc1c2ccc(cc2nc3c1cc(cc3)OC)Cl
InChi [?]:
InChI=1/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,5,10,27,2,4,7,8,15,24,14,25,6,17,22,9,16,23,13,21,20,18,12,28,11,19,3,26/E:(1,2)(5,6)/rA:28cCCNCCCCCCCNCCCCCCCNCCCCCCOCCl/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;d12s20;s21;d22;s23;s20d24;s23;s26;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H30ClN3O |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.7669 |
Area: | 634.845 |
Solvation: | -3.10423 |
Coulombic: | -30.7712 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 399.957 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.54 |
LogP (Chemaxon): | 4.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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