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Chemical ID: 6634929
Chemical ID:
6634929
Name [?]:
10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carbohydrazide
SMILES [?]:
CC12CCCCC1CCC3C2CCC4(C3CCC4C(=O)NN)C
InChi [?]:
InChI=1/C20H34N2O/c1-19-11-4-3-5-13(19)6-7-14-15-8-9-17(18(23)22-21)20(15,2)12-10-16(14)19/h13-17H,3-12,21H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,23,5,4,6,8,9,16,17,12,3,13,7,10,15,11,18,19,2,14,22,21,20/rA:23cCCCCCCCCCCCCCCCCCCCONNC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s2s10;s11;s12;s13;s10s14;s15;s16;s14s17;s18;d19;s19;s21;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H34N2O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 7 |
ZAP Information [?]
Total: | 9.84025 |
Area: | 481.421 |
Solvation: | -2.19527 |
Coulombic: | -29.4897 |
Bond Count [?]
All: | 26 |
Single: | 25 |
Double: | 1 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 318.497 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 5.02 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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