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Chemical ID: 4516498
Chemical ID:
4516498
Name [?]:
None
SMILES [?]:
CC1C23CC(C14C5(C2N(CC5)CC=C3)c6ccccc6N4)C(=O)OC
InChi [?]:
InChI=1/C21H24N2O2/c1-13-19-8-5-10-23-11-9-20(18(19)23)14-6-3-4-7-16(14)22-21(13,20)15(12-19)17(24)25-2/h3-8,13,15,18,22H,9-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,17,18,13,16,19,14,11,12,10,4,2,15,5,20,22,8,3,7,6,21,9,23,24/rA:25cCCCCCCCCNCCCCCCCCCCCNCOOC/rB:s1;s2;s3;s4;s2s5;s6;s3s7;s8;s9;s7s10;s9;s12;s3d13;s7;s15;d16;s17;d18;d15s19;s6s20;s5;d22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24N2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 7 |
ZAP Information [?]
Total: | 21.7122 |
Area: | 0.0 |
Solvation: | 21.7122 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 30 |
Single: | 25 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 336.428 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.75 |
LogP (Chemaxon): | 2.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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