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Chemical ID: 4507053
Chemical ID:
4507053
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C(CN2CC3CC(C2)c4cccc(=O)n4C3)c5ccccc5
InChi [?]:
InChI=1/C25H26N2O/c28-25-13-7-12-24-22-14-19(16-27(24)25)15-26(17-22)18-23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,19,22-23H,14-18H2
InChi Info:
AuxInfo=1/0/N:1,26,2,6,25,27,17,3,5,24,28,16,18,12,10,22,14,8,11,4,23,13,7,15,19,9,21,20/E:(1,2)(3,4,5,6)(8,9,10,11)(20,21)/rA:28cCCCCCCCCNCCCCCCCCCCONCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s9s13;s13;d15;s16;d17;s18;d19;s15s19;s11s21;s7;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26N2O |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 10.2126 |
Area: | 526.646 |
Solvation: | -2.95357 |
Coulombic: | -23.6137 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 370.487 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.35 |
LogP (Chemaxon): | 4.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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