Chemical ID: 4917589

CC12CC(c3ccccc3O1)Sc4ccccc4N2
Chemical ID:
4917589
Name [?]:
None
SMILES [?]:
CC12CC(c3ccccc3O1)Sc4ccccc4N2
InChi [?]:
InChI=1/C16H15NOS/c1-16-10-15(11-6-2-4-8-13(11)18-16)19-14-9-5-3-7-12(14)17-16/h2-9,15,17H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,16,8,15,6,17,9,14,3,5,18,10,13,4,2,19,11,12/rA:19cCCCCCCCCCCOSCCCCCCN/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s4;s12;s13;d14;s15;d16;d13s17;s2s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15NOS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:7.80342
Area:388.182
Solvation:-1.90114
Coulombic:-22.3438
Bond Count [?]
All:22
Single:16
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:269.362
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.17
LogP (Chemaxon):4.5

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