Chemical ID: 4912795

CC1CC2(C(=O)Nc3ccccc3N=C2O1)CC=C
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

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