Chemical ID: 4562110

CC12CCC3C(C1CCC2=NNC(=S)N)CC=C4C3(CCC(C4)O)C
Chemical ID:
4562110
Name [?]:
(3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene)aminothiourea
SMILES [?]:
CC12CCC3C(C1CCC2=NNC(=S)N)CC=C4C3(CCC(C4)O)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H31N3OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:6
ZAP Information [?]
Total:11.0066
Area:547.368
Solvation:-2.67757
Coulombic:-45.6195
Bond Count [?]
All:28
Single:25
Double:3
Rotors:2
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:361.546
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:3.65
LogP (Chemaxon):4.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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