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Chemical ID: 7632617
Chemical ID:
7632617
Name [?]:
None
SMILES [?]:
CC(C1CCC2C1(CCC3C2CCC4C3(CCC(=O)N4C)C)C)C(=O)[O-]
InChi [?]:
InChI=1/C22H35NO3/c1-13(20(25)26)15-6-7-16-14-5-8-18-22(3,12-10-19(24)23(18)4)17(14)9-11-21(15,16)2/h13-18H,5-12H2,1-4H3,(H,25,26)/p-1
InChi Info:
AuxInfo=1/1/N:1,23,22,21,12,4,5,13,9,17,8,16,2,11,3,6,10,14,18,24,7,15,20,19,25,26/E:(25,26)/rA:26cCCCCCCCCCCCCCCCCCCONCCCCOO-/rB:s1;s2;s3;s4;s5;s3s6;s7;s8;s9;s6s10;s11;s12;s13;s10s14;s15;s16;s17;d18;s14s18;s20;s15;s7;s2;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H34NO3- |
All Atoms: | 60 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -30.7372 |
Area: | 505.929 |
Solvation: | -43.3855 |
Coulombic: | -15.8683 |
Bond Count [?]
All: | 29 |
Single: | 27 |
Double: | 2 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.61 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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