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Chemical ID: 4088317
Chemical ID:
4088317
Name [?]:
None
SMILES [?]:
CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)c5ccccc5NC4=O
InChi [?]:
InChI=1/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,18,21,22,20,23,7,6,10,4,13,2,11,3,12,19,24,9,15,26,8,25,5,16,27,17,14/rA:27cCCCCNCCCCCCCCOCOOCCCCCCCNCO/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s3s10;s11;d12;s2s13;s12;d15;s15;s17;s8;s19;d20;s21;d22;d19s23;s24;s8s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24N2O4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 6 |
ZAP Information [?]
Total: | 8.8997 |
Area: | 526.579 |
Solvation: | -4.26477 |
Coulombic: | -52.3017 |
Bond Count [?]
All: | 31 |
Single: | 25 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 368.426 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.68 |
LogP (Chemaxon): | 1.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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