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Chemical ID: 4492666
Chemical ID:
4492666
Name [?]:
None
SMILES [?]:
CC1=CC(N2c3c1cccc3C4(C2=O)c5c(c6ccccc6[nH]5)CCN4)(C)C
InChi [?]:
InChI=1/C24H23N3O/c1-14-13-23(2,3)27-20-15(14)8-6-9-18(20)24(22(27)28)21-17(11-12-25-24)16-7-4-5-10-19(16)26-21/h4-10,13,25-26H,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,28,19,20,9,18,8,10,21,24,25,3,2,7,17,16,11,22,6,15,13,4,12,26,23,5,14/E:(2,3)/rA:28cCCCCNCCCCCCCCOCCCCCCCCNCCNCC/rB:s1;d2;s3;s4;s5;s2s6;d7;s8;d9;d6s10;s11;s5s12;d13;s12;d15;s16;s17;d18;s19;d20;d17s21;s15s22;s16;s24;s12s25;s4;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23N3O |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.319 |
Area: | 535.538 |
Solvation: | -2.06941 |
Coulombic: | -40.5004 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 369.459 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.43 |
LogP (Chemaxon): | 3.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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