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Chemical ID: 7255109
Chemical ID:
7255109
Name [?]:
[4-(3-chlorophenyl)piperazin-1-yl]-(1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)methanone
SMILES [?]:
c1ccn2cc(nc2c1)C(=O)N3CCN(CC3)c4cccc(c4)Cl
InChi [?]:
InChI=1/C18H17ClN4O/c19-14-4-3-5-15(12-14)21-8-10-22(11-9-21)18(24)16-13-23-7-2-1-6-17(23)20-16/h1-7,12-13H,8-11H2
InChi Info:
AuxInfo=1/0/N:1,2,20,21,19,9,3,14,16,13,17,23,5,22,18,6,8,10,24,7,15,12,4,11/E:(8,9)(10,11)/rA:24nCCCNCCNCCCONCCNCCCCCCCCCl/rB:s1;d2;s3;s4;d5;s6;s4d7;d1s8;s6;d10;s10;s12;s13;s14;s15;s12s16;s15;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17ClN4O |
All Atoms: | 41 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7391 |
Area: | 533.318 |
Solvation: | -2.59382 |
Coulombic: | -37.1089 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 340.807 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.98 |
LogP (Chemaxon): | 3.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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