Chemical ID: 5207843

CC12CCC3c4ccc(cc4CCC3C1CCC2=NNC)O
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

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Experimental Annotations

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Descriptor Annotations

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