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Chemical ID: 7595046
Chemical ID:
7595046
Name [?]:
None
SMILES [?]:
CCC1(c2c(c3ccccc3[nH]2)C(CO1)Cc4ccccc4)CC(=O)O
InChi [?]:
InChI=1/C22H23NO3/c1-2-22(13-19(24)25)21-20(17-10-6-7-11-18(17)23-21)16(14-26-22)12-15-8-4-3-5-9-15/h3-11,16,23H,2,12-14H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,20,19,21,8,9,18,22,7,10,16,23,14,17,13,6,11,24,5,4,3,12,25,26,15/E:(4,5)(8,9)(24,25)/rA:26cCCCCCCCCCCCNCCOCCCCCCCCCOO/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s4s11;s5;s13;s3s14;s13;s16;s17;d18;s19;d20;d17s21;s3;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23NO3 |
All Atoms: | 49 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.0015 |
Area: | 534.158 |
Solvation: | -3.35242 |
Coulombic: | -48.3384 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.51 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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