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Chemical ID: 4563291
Chemical ID:
4563291
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c3c([nH]2)CCN(C3)C(=O)CN4CCc5ccccc5C4
InChi [?]:
InChI=1/C23H25N3O/c1-16-6-7-21-19(12-16)20-14-26(11-9-22(20)24-21)23(27)15-25-10-8-17-4-2-3-5-18(17)13-25/h2-7,12,24H,8-11,13-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,24,22,25,3,4,20,11,19,12,7,27,14,17,2,21,26,6,8,5,9,15,10,18,13,16/rA:27cCCCCCCCCCNCCNCCOCNCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;s11;s12;s8s13;s13;d15;s15;s17;s18;s19;s20;s21;d22;s23;d24;d21s25;s18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25N3O |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6085 |
Area: | 569.937 |
Solvation: | -3.63996 |
Coulombic: | -32.5707 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 359.464 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.01 |
LogP (Chemaxon): | 3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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