Chemical ID: 7972141

c1cc2c(cc1N)N(CC2)C(=O)C3CC3
Chemical ID:
7972141
Name [?]:
(6-aminoindolin-1-yl)-cyclopropyl-methanone
SMILES [?]:
c1cc2c(cc1N)N(CC2)C(=O)C3CC3
InChi [?]:
InChI=1/C12H14N2O/c13-10-4-3-8-5-6-14(11(8)7-10)12(15)9-1-2-9/h3-4,7,9H,1-2,5-6,13H2
InChi Info:
AuxInfo=1/0/N:14,15,2,1,10,9,5,3,13,6,4,11,7,8,12/E:(1,2)/rA:15nCCCCCCNNCCCOCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;s3s9;s8;d11;s11;s13;s13s14;/rC:-.0168,1.3852,.0097;1.1729,2.0869,.0021;2.3791,1.4122,-.0135;2.4122,.0259,-.0213;1.2104,-.6817,-.0127;.0021,-.0041,.002;-1.1983,-.7182,.0108;3.7242,-.4578,-.0369;4.6717,.6599,-.0403;3.8012,1.927,-.0249;4.067,-1.7612,-.0473;3.2054,-2.6149,-.0433;5.5207,-2.1579,-.0639;6.0845,-2.8279,1.1908;5.8449,-3.6531,-.0751;

Chemical Details

Atom Count
Formula:C12H14N2O
All Atoms:29
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.28656
Area:375.198
Solvation:-2.09339
Coulombic:-31.621
Bond Count [?]
All:31
Single:27
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:202.252
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.65
LogP (Chemaxon):1.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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