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Chemical ID: 5207843
Chemical ID:
5207843
Name [?]:
13-methyl-17-methylaminoimino-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ol
SMILES [?]:
CC12CCC3c4ccc(cc4CCC3C1CCC2=NNC)O
InChi [?]:
InChI=1/C19H26N2O/c1-19-10-9-15-14-6-4-13(22)11-12(14)3-5-16(15)17(19)7-8-18(19)21-20-2/h4,6,11,15-17,20,22H,3,5,7-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,12,8,13,7,16,17,4,3,10,11,9,6,5,14,15,18,2,20,19,22/rA:22cCCCCCCCCCCCCCCCCCCNNCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s5s13;s2s14;s15;s16;s2s17;w18;s19;s20;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H26N2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 9.2978 |
Area: | 480.858 |
Solvation: | -2.72364 |
Coulombic: | -26.8334 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 298.423 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.68 |
LogP (Chemaxon): | 4.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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