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Chemical ID: 4912795
Chemical ID:
4912795
Name [?]:
None
SMILES [?]:
CC1CC2(C(=O)Nc3ccccc3N=C2O1)CC=C
InChi [?]:
InChI=1/C15H16N2O2/c1-3-8-15-9-10(2)19-14(15)17-12-7-5-4-6-11(12)16-13(15)18/h3-7,10H,1,8-9H2,2H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:19,1,18,10,11,9,12,17,3,2,8,13,5,15,4,7,14,6,16/rA:19cCCCCCONCCCCCCNCOCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s4d14;s2s15;s4;s17;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.60619 |
Area: | 420.403 |
Solvation: | -2.90388 |
Coulombic: | -36.2417 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 256.3 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.32 |
LogP (Chemaxon): | 3.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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