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Chemical ID: 5762511
Chemical ID:
5762511
Name [?]:
None
SMILES [?]:
Cc1ccccc1C(=O)N2CCc3c4ccccc4[nH]c3C2c5ccc(cc5)Cl
InChi [?]:
InChI=1/C25H21ClN2O/c1-16-6-2-3-7-19(16)25(29)28-15-14-21-20-8-4-5-9-22(20)27-23(21)24(28)17-10-12-18(26)13-11-17/h2-13,24,27H,14-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,16,17,3,6,15,18,24,28,25,27,12,11,2,23,26,7,14,13,19,21,22,8,29,20,10,9/E:(10,11)(12,13)/rA:29cCCCCCCCCONCCCCCCCCCNCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;d13s20;s10s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H21ClN2O |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.1858 |
Area: | 585.559 |
Solvation: | -2.45314 |
Coulombic: | -32.4826 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 400.9 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.84 |
LogP (Chemaxon): | 5.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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